data_1dp3_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 1dp3 _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 ' 10' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.276 0.56 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -42.96 -26.79 0.15 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.209 -0.932 . . . . 0.0 110.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 12' ' ' ILE . 14.5 mm -51.93 -21.05 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 14' ' ' TYR . 11.4 p -46.7 -40.59 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.039 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.405 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 11.3 t80 -69.45 -28.99 66.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -50.41 47.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.317 -0.864 . . . . 0.0 110.09 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 HG12 ' CD1' ' A' ' 42' ' ' LEU . 17.5 mt -66.2 -33.9 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 0.0 110.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.05 -37.77 77.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 110.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -68.28 -36.83 79.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 110.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.471 HG13 ' OH ' ' A' ' 50' ' ' TYR . 24.3 mm -63.86 -58.7 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 110.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 38' ' ' ILE . 21.8 t -47.03 -53.5 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.958 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -46.73 70.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -50.31 -27.21 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.888 . . . . 0.0 110.091 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 29.1 mmm-85 -61.46 -57.98 10.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.094 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 mpp_? -68.93 -48.15 63.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.84 -34.45 1.61 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.427 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.23 -28.09 29.47 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.424 -0.798 . . . . 0.0 109.933 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 121.92 27.5 1.71 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.54 173.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -1.127 . . . . 0.0 110.098 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.56 172.46 12.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.63 146.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t -89.2 32.42 0.84 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 0.0 110.223 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.5 -22.55 30.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 20' ' ' VAL . 38.4 t -65.91 139.54 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 37' ' ' SER . 0.6 OUTLIER -175.69 151.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.169 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -43.39 -66.4 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.296 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -49.62 -40.06 37.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 34' ' ' SER . 15.1 m -62.84 -57.7 9.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' ' CG ' ' A' ' 41' ' ' MET . 14.0 mm -62.61 -19.91 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.267 -0.896 . . . . 0.0 110.4 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -74.05 -52.7 11.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -48.98 -51.37 30.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 3.5 ptm -57.87 -29.54 65.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.901 . . . . 0.0 110.187 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.3 OUTLIER -68.49 -46.35 69.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.928 . . . . 0.0 110.391 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.15 -27.33 13.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -0.902 . . . . 0.0 110.614 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -63.32 -31.0 72.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.541 ' CD2' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -97.03 0.25 48.39 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.208 0.528 . . . . 0.0 109.776 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.43 42.22 25.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 10.9 tp 47.37 22.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.8 tpm_? -74.68 -120.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.924 . . . . 0.0 110.254 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' CG2' ' CD2' ' A' ' 45' ' ' LEU . 16.9 m -41.15 -27.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.147 -0.971 . . . . 0.0 110.123 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 42' ' ' LEU . 29.2 t80 -55.93 -38.78 70.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.867 . . . . 0.0 109.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 24.3 p30 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.196 0.522 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.93 73.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.166 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 16' ' ' ILE . 13.9 mm -57.54 -45.31 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.161 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 10' ' ' ASP . 38.6 t -43.15 -53.18 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -72.01 -25.42 61.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -33.8 68.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.212 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG23 ' CB ' ' A' ' 39' ' ' SER . 22.8 mm -73.36 -45.03 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.157 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 3.8 m120 -45.59 -31.33 1.82 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -63.47 -54.22 39.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.79 -38.34 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.855 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG22 ' HB ' ' A' ' 38' ' ' ILE . 21.9 t -69.51 -60.83 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 3.3 mt-10 -43.94 -31.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.219 -0.926 . . . . 0.0 110.244 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -38.75 55.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.258 -0.901 . . . . 0.0 110.15 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.51 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -53.71 -71.23 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.083 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.77 -46.01 85.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.979 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -45.07 -36.86 3.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.067 -1.02 . . . . 0.0 109.313 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -29.99 34.88 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.41 -0.807 . . . . 0.0 110.025 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.89 34.5 0.47 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB3' ' CD ' ' A' ' 23' ' ' ARG . . . -77.52 -170.1 1.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.18 -1.188 . . . . 0.0 110.159 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.275 -0.89 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -56.39 149.83 16.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 110.15 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 31' ' ' THR . 96.4 m -82.22 10.08 7.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.323 -0.861 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.27 2.11 16.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.845 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 40.2 t -121.92 149.67 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 110.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.13 151.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 0.0 110.183 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.72 -58.67 4.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -32.73 68.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 110.343 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.5 t -67.8 -55.42 13.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 ' HB ' HG22 ' A' ' 20' ' ' VAL . 15.2 mm -64.12 -50.8 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 110.332 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.527 ' CB ' HG23 ' A' ' 16' ' ' ILE . 2.1 p -55.48 -53.74 52.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.221 -0.924 . . . . 0.0 110.427 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 6.1 m -48.96 -56.32 9.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 110.526 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.532 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.8 ptt? -66.34 -23.17 66.31 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.925 . . . . 0.0 110.494 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.532 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -68.26 -53.36 25.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 110.558 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD22 ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.19 -44.4 92.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.0 110.607 -179.683 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -57.76 -21.36 41.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.129 -0.982 . . . . 0.0 109.066 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -100.5 -7.15 24.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.676 -0.64 . . . . 0.0 110.037 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 68.74 33.01 74.86 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 73.24 -3.22 2.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.393 -1.063 . . . . 0.0 110.778 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -75.08 1.78 12.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.065 -1.022 . . . . 0.0 110.369 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.585 ' CG2' ' CE2' ' A' ' 50' ' ' TYR . 10.8 m -56.21 -113.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.207 -0.933 . . . . 0.0 110.512 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.585 ' CE2' ' CG2' ' A' ' 49' ' ' VAL . 11.2 p90 -40.74 -28.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.07 -1.019 . . . . 0.0 110.444 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 110.26 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.224 0.535 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -6.05 36.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.273 -0.892 . . . . 0.0 110.338 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 1.4 pt -64.78 -15.51 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 41.8 t -60.35 -66.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.198 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -31.31 71.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.31 -0.869 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -54.8 7.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.248 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.522 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 20.9 mm -61.43 -45.5 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 110.119 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.2 -41.72 18.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.342 -0.848 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -58.07 -36.64 73.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.916 . . . . 0.0 110.264 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 38.5 mm -70.74 -47.34 64.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.89 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.489 ' CG2' HG13 ' A' ' 38' ' ' ILE . 9.6 t -60.34 -46.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -51.67 -57.77 8.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.186 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -44.76 -46.77 10.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.098 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' HB2' HG11 ' A' ' 33' ' ' VAL . 9.0 mmt180 -52.55 -67.08 0.28 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.917 . . . . 0.0 110.2 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -60.37 -44.63 95.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 110.175 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . -43.68 -43.45 5.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.11 -20.09 26.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.399 -0.813 . . . . 0.0 110.167 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 34.53 59.42 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -97.01 40.22 1.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.092 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 177.37 32.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 0.0 109.91 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.36 -170.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 110.038 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -88.17 23.08 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.127 -0.983 . . . . 0.0 110.152 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -20.25 38.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 HG11 ' HB2' ' A' ' 23' ' ' ARG . 42.0 t -65.75 151.46 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.162 -0.961 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 179.09 148.05 0.21 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 110.162 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 13' ' ' VAL . 35.4 t80 -42.91 -61.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 40' ' ' THR . 60.1 p -46.91 -34.64 5.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.272 -0.893 . . . . 0.0 110.306 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -80.03 -42.88 22.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.277 -0.889 . . . . 0.0 110.261 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' CG2' ' A' ' 20' ' ' VAL . 27.4 mm -74.13 -37.63 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.133 -0.979 . . . . 0.0 110.134 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 t -74.42 -48.73 25.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.309 -0.869 . . . . 0.0 110.122 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 36' ' ' SER . 6.3 m -50.22 -47.9 54.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.365 -0.835 . . . . 0.0 110.639 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.69 -32.64 64.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 110.317 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.593 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 6.1 tt -66.74 -50.76 61.71 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -7.38 44.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.064 -1.023 . . . . 0.0 110.613 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -33.02 56.92 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 48' ' ' ARG . 0.7 OUTLIER -101.76 -3.49 28.01 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.882 179.16 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.01 28.76 55.84 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.593 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER 50.69 14.73 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.129 -1.218 . . . . 0.0 111.651 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.81 -73.27 0.27 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.719 -1.238 . . . . 0.0 110.616 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.92 -34.22 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 0.0 110.481 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CD2' HD21 ' A' ' 47' ' ' LEU . 36.9 t80 -44.65 -50.79 9.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 110.176 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.155 -0.966 . . . . 0.0 110.477 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -70.85 -10.47 59.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 16' ' ' ILE . 6.4 mt -61.8 -26.55 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.197 -0.939 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.8 t -45.34 -50.97 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.203 -0.936 . . . . 0.0 110.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 3.0 t80 -69.49 -24.71 63.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 110.198 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -69.46 -54.88 12.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.368 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.417 HD12 HG22 ' A' ' 12' ' ' ILE . 54.5 mt -75.34 -25.01 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.289 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -65.0 -38.2 90.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 14' ' ' TYR . 12.6 mtpt -67.5 -37.3 82.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.177 -0.952 . . . . 0.0 110.067 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.522 HD12 ' CZ ' ' A' ' 50' ' ' TYR . 19.3 mt -53.96 -44.61 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG22 ' CG2' ' A' ' 38' ' ' ILE . 4.3 t -68.62 -49.45 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.165 -0.959 . . . . 0.0 110.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.28 -29.39 70.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.7 ttm-85 -44.4 -55.65 4.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 110.475 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.542 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.17 -45.0 5.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 0.0 110.03 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HA ' ' CA ' ' A' ' 28' ' ' ALA . 21.4 ttm-85 -70.27 -58.14 4.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.932 . . . . 0.0 109.892 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -47.26 -24.11 0.67 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.155 -0.966 . . . . 0.0 109.007 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.98 -16.35 26.66 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.478 -0.764 . . . . 0.0 110.346 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.64 56.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.56 ' CA ' ' HA ' ' A' ' 24' ' ' ARG . . . -36.05 144.54 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.674 -0.898 . . . . 0.0 111.033 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.7 ttmt 179.74 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.39 34.52 4.85 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 121.817 0.818 . . . . 0.0 108.895 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.542 ' CB ' ' HB3' ' A' ' 23' ' ' ARG . 6.0 t -105.02 39.9 1.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.495 0.664 . . . . 0.0 109.767 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -51.12 -19.69 1.22 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.963 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' HG12 ' A' ' 38' ' ' ILE . 41.9 t -45.8 173.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.524 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 89.4 p -157.65 -175.83 5.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.793 -1.192 . . . . 0.0 110.757 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' SER . 9.3 t80 -60.13 -62.34 1.94 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 110.189 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.7 m -42.08 -40.87 2.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -39.71 28.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.367 -0.833 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.546 HG12 ' CG1' ' A' ' 33' ' ' VAL . 26.4 mm -75.87 -25.68 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.0 110.654 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -74.28 -62.83 1.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 40' ' ' THR . 89.4 m -50.02 -20.11 0.88 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.903 . . . . 0.0 111.011 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 1.4 ptt? -68.62 -48.75 63.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.95 -1.094 . . . . 0.0 110.409 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 13.5 tp -69.05 -39.86 78.88 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.12 -0.988 . . . . 0.0 109.886 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.6 -23.27 0.63 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.241 -0.912 . . . . 0.0 110.243 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -66.76 -31.91 72.86 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.2 mt -90.09 -13.81 35.06 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.224 0.535 . . . . 0.0 109.749 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 98.19 1.22 58.24 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 77.17 -18.99 0.45 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -1.106 . . . . 0.0 111.422 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 12.7 ptt180 -74.57 -43.38 55.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.795 -1.191 . . . . 0.0 110.503 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 95.2 t -53.28 -71.47 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.199 -0.938 . . . . 0.0 110.382 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.2 t80 -43.02 -57.43 2.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.305 -1.336 0 O-C-N 121.296 -0.878 . . . . 0.0 110.477 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.408 ' OD1' HG22 ' A' ' 13' ' ' VAL . 10.3 p30 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.484 0.659 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -47.83 -21.28 0.39 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.688 -0.633 . . . . 0.0 110.432 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 HG21 HD11 ' A' ' 12' ' ' ILE . 15.1 mm -51.45 -21.22 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 110.075 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 45.9 t -56.79 -65.81 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.91 . . . . 0.0 110.01 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -55.78 -22.01 22.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.99 -43.21 79.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 12' ' ' ILE . 10.7 mt -75.37 -11.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.04 -47.49 51.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.187 -0.946 . . . . 0.0 110.156 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -29.45 3.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 110.066 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.447 HG21 HG23 ' A' ' 38' ' ' ILE . 12.9 mm -76.11 -45.67 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 38' ' ' ILE . 3.8 t -70.5 -51.21 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.912 . . . . 0.0 110.01 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.31 -44.15 5.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -43.18 -54.31 4.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.055 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -46.39 -47.23 18.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.272 -0.892 . . . . 0.0 109.881 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.1 ttm180 -71.56 -55.34 8.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.75 -30.31 0.63 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.263 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.4 27.59 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.736 . . . . 0.0 109.973 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 124.94 41.68 0.36 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . -91.94 174.96 7.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.152 -1.205 . . . . 0.0 110.063 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -173.89 -35.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 110.382 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 8.5 t -43.44 155.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.54 39.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.205 -0.934 . . . . 0.0 110.253 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.73 -30.22 11.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 110.116 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' OG ' ' A' ' 34' ' ' SER . 7.7 p -106.66 138.98 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.294 -0.879 . . . . 0.0 110.212 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 33' ' ' VAL . 15.9 m -163.95 145.43 8.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.0 110.206 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 44.2 t80 -43.3 -43.71 5.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.169 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -66.89 -32.88 74.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.9 -44.12 27.97 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.415 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.527 ' O ' ' CG ' ' A' ' 41' ' ' MET . 29.2 mm -70.12 -22.75 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.135 -0.978 . . . . 0.0 110.303 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 16' ' ' ILE . 1.7 t -74.81 -55.22 6.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 110.495 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.7 m -50.1 -33.94 20.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 0.0 111.028 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -62.9 -28.99 70.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.033 -1.042 . . . . 0.0 110.482 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.522 ' N ' ' HG3' ' A' ' 41' ' ' MET . 5.2 mt -68.86 -60.05 2.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -40.3 64.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 110.084 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.15 -23.12 63.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.124 -0.985 . . . . 0.0 108.556 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD23 ' CG1' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.45 -6.0 26.25 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.686 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 73.93 7.31 75.56 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 12.7 mt 73.58 -24.7 0.2 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.635 -0.92 . . . . 0.0 111.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.5 tpt180 -74.22 -69.17 0.46 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 110.385 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' CG1' HD23 ' A' ' 45' ' ' LEU . 61.4 t -41.63 -27.62 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 14.0 t80 -64.28 -50.71 66.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 110.255 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.308 -0.87 . . . . 0.0 110.2 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.242 0.544 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 3.2 pt-20 -51.72 -21.08 2.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.239 -0.913 . . . . 0.0 110.392 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.7 mm -52.42 -57.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.298 -0.876 . . . . 0.0 110.263 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ILE . 91.2 t -43.34 -54.5 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.236 -0.915 . . . . 0.0 110.45 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.52 -23.86 64.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.218 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.39 -51.59 55.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 110.39 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.0 mt -63.6 -18.07 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.94 -48.04 48.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 110.409 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 1.9 ptmt -62.59 -26.01 68.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 0.0 110.283 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 56.1 mt -79.46 -50.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' CG2' HG13 ' A' ' 38' ' ' ILE . 14.8 t -67.2 -46.63 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.136 -0.978 . . . . 0.0 110.163 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.76 -40.53 2.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.296 -0.878 . . . . 0.0 110.19 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 7.0 mtp180 -44.78 -41.39 6.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 109.957 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.74 -51.45 16.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -70.39 -49.96 43.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.813 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.3 -33.73 1.7 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.315 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -82.61 -28.32 30.88 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.529 -0.732 . . . . 0.0 109.958 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 97.01 20.73 22.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.7 174.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -1.163 . . . . 0.0 110.149 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -144.56 9.93 1.4 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.195 -0.941 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -111.35 134.29 53.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.195 -0.941 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -3.1 14.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.66 -31.22 6.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.937 . . . . 0.0 110.114 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 23' ' ' ARG . 41.3 t -99.04 140.8 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 110.22 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 6.4 t -176.27 157.81 1.81 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 110.224 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 20' ' ' VAL . 19.7 t80 -49.33 -61.91 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.156 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -52.64 -33.37 46.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -0.93 . . . . 0.0 110.257 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -72.75 -54.52 8.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 110.215 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.533 HG13 ' CG2' ' A' ' 20' ' ' VAL . 12.3 mm -59.79 -46.32 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.174 -0.954 . . . . 0.0 110.227 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -46.8 -44.26 19.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 110.099 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 51.9 m -50.05 -69.0 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 2.3 ptt? -52.48 -23.75 6.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -68.73 -65.88 0.64 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 110.707 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.64 -27.62 65.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 0.0 111.016 -179.312 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 40' ' ' THR . 15.5 mt-10 -66.81 -36.66 82.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.877 -1.139 . . . . 0.0 108.078 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.24 8.15 42.66 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 59.85 25.11 61.12 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER 33.12 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 122.05 -0.677 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' GLY . 28.8 ttt180 -74.53 -15.84 60.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 0.0 110.752 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.467 ' O ' ' O ' ' A' ' 48' ' ' ARG . 3.5 m -52.83 -105.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.222 -0.924 . . . . 0.0 110.59 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 51' ' ' GLU . 2.7 p90 -43.43 -33.59 1.1 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.826 -1.171 . . . . 0.0 111.012 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.008 -1.058 . . . . 0.0 110.667 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLU . 2.7 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.241 0.543 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -40.91 -31.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.491 -0.755 . . . . 0.0 110.434 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 12' ' ' ILE . 5.1 mt -52.85 -29.13 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.486 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 3.1 p -45.48 -49.29 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.0 110.237 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -72.43 -32.18 66.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.143 -0.973 . . . . 0.0 110.015 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 18' ' ' LYS . 25.1 tttt -56.75 -48.79 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 110.245 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 HG22 ' A' ' 38' ' ' ILE . 46.9 mm -54.17 -46.51 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 81.6 m-20 -45.68 -53.66 9.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -43.8 -41.34 4.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.401 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.439 HG13 HD11 ' A' ' 42' ' ' LEU . 26.6 mm -78.09 -32.03 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 110.256 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 HG23 ' CG2' ' A' ' 38' ' ' ILE . 6.3 t -71.09 -48.28 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.241 -0.912 . . . . 0.0 110.19 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.19 -53.92 43.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.2 -49.73 16.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.101 -1.0 . . . . 0.0 110.2 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 6.7 mmp_? -48.08 -71.64 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.264 -0.897 . . . . 0.0 110.188 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . 1.3 mtt-85 -60.58 -45.24 94.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 109.951 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.08 -39.21 4.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.299 -0.876 . . . . 0.0 109.793 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 3.7 mt-10 -91.45 -19.63 22.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.423 -0.798 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.35 40.76 47.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -107.11 44.52 1.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -1.172 . . . . 0.0 110.198 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER 169.96 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.818 . . . . 0.0 110.064 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -56.58 -160.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 110.02 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.5 p -72.41 52.21 0.27 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.7 -29.12 11.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.138 -0.976 . . . . 0.0 110.063 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' SER . 92.3 t -71.12 158.44 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.837 . . . . 0.0 110.307 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER 170.81 146.25 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.954 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 40.7 t80 -44.77 -52.63 8.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 110.111 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.7 t -65.08 -28.4 69.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 110.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.3 t -80.1 -52.97 7.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 110.453 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.534 ' CG2' HG23 ' A' ' 20' ' ' VAL . 22.0 mm -67.24 -19.62 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' HG21 ' A' ' 16' ' ' ILE . 1.5 m -65.3 -66.57 0.53 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.08 -1.013 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.2 m -50.33 -38.06 39.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 110.459 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.559 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.26 -40.28 89.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 110.05 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.87 -31.26 70.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 110.213 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.25 -45.49 63.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.306 -0.871 . . . . 0.0 110.793 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 41' ' ' MET . 5.6 pt-20 -54.17 -33.26 57.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 108.79 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -9.33 58.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.826 -0.546 . . . . 0.0 109.82 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 66.18 38.99 94.37 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.619 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.2 mt 41.47 40.84 1.4 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.187 -1.184 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -76.72 -77.71 0.14 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.365 -0.834 . . . . 0.0 112.339 -178.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.2 t -39.42 -85.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.136 -0.978 . . . . 0.0 111.451 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -33.42 -29.43 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.867 -0.52 . . . . 0.0 111.655 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.86 -1.15 . . . . 0.0 110.783 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ILE . 9.8 p-10 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.147 0.499 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.4 60.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.417 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ASP . 9.5 mm -88.32 -59.95 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 109.989 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 35.8 m -47.2 -31.4 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.52 -38.9 71.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.7 mtmt -68.56 -32.93 73.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.0 110.106 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.55 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 13.8 mt -70.96 -44.2 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 0.0 110.101 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -55.4 -35.39 65.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.53 -21.67 60.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.307 -0.871 . . . . 0.0 110.325 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 16' ' ' ILE . 95.7 mt -83.6 -33.84 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.209 -0.932 . . . . 0.0 110.283 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 16' ' ' ILE . 4.5 t -71.12 -48.71 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.349 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 11.3 pt-20 -55.37 -37.79 67.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.231 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 8.5 tpm_? -46.33 -32.39 3.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.525 ' HG2' ' CG2' ' A' ' 31' ' ' THR . 16.5 mtt85 -60.52 -83.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.345 -0.847 . . . . 0.0 109.893 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -54.98 -30.79 59.96 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.097 -1.002 . . . . 0.0 109.541 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 21' ' ' GLU . . . -47.17 -46.36 23.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.244 -0.91 . . . . 0.0 109.415 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' A' ' 23' ' ' ARG . 2.5 pt-20 -78.92 -23.04 44.95 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.331 -0.856 . . . . 0.0 110.136 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.94 42.79 2.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.526 ' CB ' ' OG1' ' A' ' 31' ' ' THR . . . -59.88 -160.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -1.155 . . . . 0.0 110.304 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 30' ' ' SER . 8.1 ptpp? -127.79 -44.51 1.49 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.279 -0.888 . . . . 0.0 110.149 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.6 m -128.39 25.5 5.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 0.0 109.883 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -107.3 40.03 1.77 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 33' ' ' VAL . 34.7 t70 -86.49 22.0 1.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.489 -0.757 . . . . 0.0 110.272 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 38' ' ' ILE . 29.0 m -52.44 -168.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.441 -0.787 . . . . 0.0 110.224 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -147.24 174.57 11.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.015 -1.053 . . . . 0.0 110.483 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 4.8 t80 -52.01 -65.87 0.48 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.392 -0.817 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -42.57 -47.29 5.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -59.46 2.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 110.179 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.53 ' CD1' HG23 ' A' ' 33' ' ' VAL . 10.1 mm -55.62 -20.43 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.577 ' OG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m -73.72 -48.8 29.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.197 -0.939 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.8 m -50.01 -57.83 6.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.6 ptm -57.85 -25.56 60.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -66.41 -61.49 1.97 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 110.4 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -31.58 72.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.158 -0.964 . . . . 0.0 110.32 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -32.25 73.75 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -96.75 -3.47 42.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 67.44 26.48 73.58 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' HG3' ' A' ' 51' ' ' GLU . 5.0 tt 43.59 24.98 0.07 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.211 -1.17 . . . . 0.0 110.624 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' VAL . 4.9 mmt85 -75.89 -49.36 18.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.228 -0.92 . . . . 0.0 111.912 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 51' ' ' GLU . 54.6 t -39.52 -96.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.07 -1.018 . . . . 0.0 111.814 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.479 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -35.66 -29.7 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.404 -0.81 . . . . 0.0 110.966 -178.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.519 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 20.5 p-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.182 0.515 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 64.74 0.34 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -0.893 . . . . 0.0 110.263 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' CG2' HD11 ' A' ' 16' ' ' ILE . 10.3 mm -81.3 -42.23 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.0 110.186 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 53.0 t -46.06 -49.06 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -0.957 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -61.67 -47.58 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.77 92.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.123 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.525 HD11 ' CG2' ' A' ' 12' ' ' ILE . 18.4 mt -64.7 -55.17 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -0.931 . . . . 0.0 110.001 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -45.86 -47.76 15.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASN . 1.4 mtpt -43.99 -43.83 6.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 0.0 110.023 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.47 -35.24 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.9 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG21 ' CG2' ' A' ' 38' ' ' ILE . 3.2 t -70.44 -50.86 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.227 -0.921 . . . . 0.0 109.925 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -53.73 -24.01 13.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.085 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.522 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 tpt180 -68.02 -57.54 5.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.905 . . . . 0.0 110.085 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -55.99 5.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 109.731 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 8.2 ptm180 -69.6 -39.32 77.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.853 . . . . 0.0 109.619 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 21' ' ' GLU . . . -44.08 -43.29 6.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 0.0 109.179 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.07 -30.11 62.22 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.548 -0.72 . . . . 0.0 109.759 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 89.62 14.62 59.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.544 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -110.36 35.74 3.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.141 -1.211 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 163.17 34.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.741 -0.599 . . . . 0.0 109.997 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.7 p -89.75 16.95 7.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 110.075 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -108.01 -35.33 6.64 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.611 0.719 . . . . 0.0 109.12 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.24 -47.84 4.19 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.323 0.582 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 29' ' ' LYS . 5.7 p -45.75 148.89 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 110.501 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' PHE . 3.3 t -175.52 146.29 0.77 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.359 -0.838 . . . . 0.0 110.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' SER . 40.8 t80 -42.81 -55.71 3.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.327 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -55.96 -28.97 59.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -80.2 -43.54 21.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 0.0 110.448 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.529 ' CG2' HG21 ' A' ' 20' ' ' VAL . 27.8 mm -71.46 -44.38 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.196 -0.94 . . . . 0.0 110.639 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.432 ' HB2' HD12 ' A' ' 16' ' ' ILE . 2.1 t -65.08 -45.26 86.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.083 -1.011 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.45 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 9.3 m -50.21 -54.65 19.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.251 -0.906 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -70.38 -27.37 64.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.082 -1.011 . . . . 0.0 110.718 -179.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -67.05 -48.28 68.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.512 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -43.29 78.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.148 -0.97 . . . . 0.0 110.55 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 40' ' ' THR . 34.7 mt-10 -57.69 -28.17 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 109.087 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.38 -2.8 32.5 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.715 -0.615 . . . . 0.0 109.466 179.421 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 51.95 41.28 51.87 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 35.47 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.83 -0.806 . . . . 0.0 110.937 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -74.16 -88.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.117 -0.989 . . . . 0.0 110.316 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' HD12 ' A' ' 45' ' ' LEU . 7.1 p -48.15 -24.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -0.983 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' N ' HG13 ' A' ' 49' ' ' VAL . 58.3 t80 -58.05 -54.34 48.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.112 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 O-C-N 121.251 -0.906 . . . . 0.0 110.351 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.53 -13.86 10.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' HG12 ' A' ' 16' ' ' ILE . 11.8 mm -70.99 -35.52 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.205 -0.935 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.5 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 90.0 t -41.66 -45.58 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.344 -0.847 . . . . 0.0 110.248 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.33 58.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -51.91 -39.77 59.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.701 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 43.0 mm -67.46 -46.83 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 110.225 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 13' ' ' VAL . 36.4 m-80 -44.07 -31.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -54.06 11.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.289 -0.882 . . . . 0.0 110.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.509 ' CG2' HG21 ' A' ' 38' ' ' ILE . 5.8 mt -52.33 -51.38 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.558 ' CG2' ' HB ' ' A' ' 38' ' ' ILE . 47.1 t -63.34 -61.24 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' ARG . 12.5 mm-40 -49.31 -43.38 43.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.269 -0.894 . . . . 0.0 110.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -43.86 -48.84 8.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.0 110.106 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -44.53 -53.82 6.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.903 . . . . 0.0 110.043 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -54.67 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 110.116 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.56 -23.18 0.91 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.597 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.11 -24.76 14.5 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.364 -0.835 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 123.71 58.65 0.19 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -55.49 -162.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -1.048 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -45.88 0.48 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.129 -0.982 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -145.43 -171.47 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -82.41 9.48 9.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -49.97 -27.34 5.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' HG11 ' A' ' 33' ' ' VAL . 13.9 p -95.69 148.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.178 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.438 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 19.6 m -155.26 150.86 27.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -57.25 -40.7 78.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 0.0 110.159 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -69.27 -27.72 65.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.312 -0.867 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.438 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 1.0 OUTLIER -79.95 -43.55 21.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 0.0 110.427 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.558 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . 15.6 mm -75.24 -22.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -61.63 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.555 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 4.4 t -41.39 -35.09 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -60.32 2.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.569 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.3 mm? -56.8 -59.01 5.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.229 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -43.92 43.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.238 -0.913 . . . . 0.0 110.316 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 40' ' ' THR . 26.2 mt-10 -62.75 -18.27 62.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.109 -0.994 . . . . 0.0 108.648 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' CD2' HG12 ' A' ' 49' ' ' VAL . 3.8 mt -99.08 -3.37 34.84 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.768 -0.583 . . . . 0.0 109.625 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 69.26 7.07 56.57 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.546 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 77.46 -32.3 0.18 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.544 -0.974 . . . . 0.0 111.402 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.6 tpp180 -70.55 -65.95 0.67 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.861 -1.149 . . . . 0.0 110.52 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' CD2' ' A' ' 45' ' ' LEU . 24.8 t -42.13 -32.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.293 -0.88 . . . . 0.0 110.343 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 20.2 t80 -74.2 -68.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.154 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.267 -0.896 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.8 t0 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.185 0.517 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.55 -46.2 13.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.546 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.401 HD11 HD22 ' A' ' 47' ' ' LEU . 13.0 mm -51.78 -47.25 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 110.327 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.16 -33.52 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -49.94 72.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -52.44 -27.87 17.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 42' ' ' LEU . 25.6 mm -74.55 -61.52 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.245 -0.91 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.539 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 32.4 m-20 -42.05 -26.81 0.1 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ILE . 23.4 mttm -75.96 -60.53 2.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.15 -0.969 . . . . 0.0 109.433 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG23 HG21 ' A' ' 38' ' ' ILE . 37.0 mt -48.11 -54.68 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' CG1' HG13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -44.8 -69.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.297 -0.877 . . . . 0.0 109.921 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -46.21 -27.85 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.616 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -71.09 -35.21 71.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HG2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -43.53 -43.13 5.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.149 -0.97 . . . . 0.0 110.181 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.4 mtt180 -72.74 -60.32 2.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 110.11 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.77 -27.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 109.18 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -85.23 -30.0 24.21 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.53 -0.731 . . . . 0.0 110.065 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 126.72 48.99 0.18 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -53.77 -169.17 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -1.118 . . . . 0.0 110.217 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -129.69 -49.86 1.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 0.0 110.249 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.83 -166.21 2.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 t -87.38 0.07 56.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -51.16 -26.3 6.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG21 ' HG2' ' A' ' 23' ' ' ARG . 7.9 p -81.9 146.49 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 -179.25 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.089 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 16' ' ' ILE . 67.8 t80 -55.58 -62.57 1.59 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.959 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -48.36 -47.05 37.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 110.214 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.6 t -61.77 -64.24 1.0 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.149 -0.97 . . . . 0.0 110.505 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.559 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.0 mm -55.02 -38.22 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.93 . . . . 0.0 110.302 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 t -74.43 -48.74 25.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 36' ' ' SER . 24.2 m -50.23 -42.74 52.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.325 -0.859 . . . . 0.0 110.899 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.512 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.5 ptt? -67.9 -29.68 68.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.171 -0.955 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -68.62 -48.56 63.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 110.349 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -15.23 62.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.232 -0.918 . . . . 0.0 110.523 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 41' ' ' MET . 1.5 mm-40 -65.62 -31.3 72.25 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' HB ' ' A' ' 49' ' ' VAL . 2.2 mp -100.82 -6.77 24.36 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.303 0.573 . . . . 0.0 109.548 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 82.26 19.77 63.93 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 63.86 7.91 3.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -1.182 . . . . 0.0 110.489 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -81.37 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.913 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' HB ' HD22 ' A' ' 45' ' ' LEU . 98.7 t -43.01 -35.97 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' OH ' HD11 ' A' ' 19' ' ' ILE . 61.1 t80 -50.73 -53.14 33.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 110.12 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 O-C-N 121.44 -0.788 . . . . 0.0 110.323 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.035 0.445 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -13.6 59.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.31 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HG12 ' A' ' 16' ' ' ILE . 15.6 mm -54.37 -30.39 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.312 -0.868 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' A' ' 14' ' ' TYR . 33.2 m -46.44 -45.2 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 110.373 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' LYS . 96.5 m-85 -63.46 -60.55 3.22 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.185 -0.947 . . . . 0.0 110.375 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.65 -35.88 1.24 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.483 -0.76 . . . . 0.0 110.671 -179.117 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 16' ' ' ILE . 18.3 mm -72.09 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.442 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -43.96 -26.23 0.26 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.23 -0.918 . . . . 0.0 110.14 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -76.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 0.0 110.622 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.556 ' CG2' ' N ' ' A' ' 20' ' ' VAL . 2.8 tp -44.82 -44.9 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.756 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 15.1 t -59.86 -49.34 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.132 -0.98 . . . . 0.0 110.398 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.2 tt0 -42.65 -46.9 5.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.222 -0.924 . . . . 0.0 110.492 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.2 mtt180 -42.91 -50.25 5.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.163 -0.961 . . . . 0.0 110.31 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.525 ' HG2' ' CB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -47.99 -59.06 3.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 110.156 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.23 -49.3 64.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.913 . . . . 0.0 110.086 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.33 -32.02 1.2 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.463 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -27.8 27.72 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.485 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 117.28 47.12 0.48 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -103.69 152.68 21.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -145.04 63.24 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.49 149.84 38.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 0.0 110.127 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 m -66.32 -7.58 19.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.283 -0.886 . . . . 0.0 110.316 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -34.63 46.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.239 -0.913 . . . . 0.0 110.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.525 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 12.0 p -120.03 145.72 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER 172.0 -175.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.245 -0.91 . . . . 0.0 109.987 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' ' OG ' ' A' ' 34' ' ' SER . 33.5 t80 -68.27 -64.07 0.94 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 0.0 110.092 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -68.9 -14.75 63.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.4 t -78.83 -63.96 1.29 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.986 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 HG23 ' CG2' ' A' ' 19' ' ' ILE . 1.1 mp -61.26 -40.88 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.219 -0.926 . . . . 0.0 109.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -53.69 -41.87 67.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.093 -1.004 . . . . 0.0 109.989 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.414 HG21 ' OE1' ' A' ' 44' ' ' GLU . 23.7 m -48.51 -72.02 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.233 -0.917 . . . . 0.0 110.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 5.2 ptt? -51.65 -30.98 23.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -68.45 -56.13 9.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.545 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.48 -45.86 90.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.123 -0.985 . . . . 0.0 110.687 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' OE1' HG21 ' A' ' 40' ' ' THR . 1.5 mp0 -56.16 -23.41 34.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.112 -0.992 . . . . 0.0 109.388 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.52 1.27 40.85 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.65 -0.656 . . . . 0.0 109.462 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.557 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 55.73 45.04 86.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.687 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER 21.21 44.84 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -75.32 -87.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.086 -1.009 . . . . 0.0 109.968 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 50' ' ' TYR . 9.7 p -57.5 -18.02 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 0.0 109.768 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' CD1' HD23 ' A' ' 42' ' ' LEU . 62.6 t80 -72.03 -53.33 13.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 109.949 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.343 0 O-C-N 121.23 -0.919 . . . . 0.0 110.295 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.0 p30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.104 0.478 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -43.57 -27.39 0.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.464 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HG12 ' A' ' 16' ' ' ILE . 9.0 mm -73.83 -21.98 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 0.0 110.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.51 -33.41 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -71.32 -33.97 70.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.7 mttt -74.01 -49.19 25.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.0 110.386 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.518 ' CD1' HD12 ' A' ' 42' ' ' LEU . 19.0 mm -42.54 -43.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.06 -31.19 68.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LYS . 10.5 mtpp -63.78 -46.52 84.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 110.304 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.507 ' HB ' ' CG2' ' A' ' 38' ' ' ILE . 17.4 mm -49.05 -58.12 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.845 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.546 ' CG2' HG13 ' A' ' 38' ' ' ILE . 2.3 t -44.49 -72.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -38.26 -40.14 0.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.708 -0.62 . . . . 0.0 110.563 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -37.09 78.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.902 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' CD ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.56 -55.87 6.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -0.898 . . . . 0.0 109.727 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -72.99 -25.59 61.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 0.0 109.741 179.585 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.508 ' N ' ' HG3' ' A' ' 24' ' ' ARG . . . -68.8 -23.07 64.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.084 -1.01 . . . . 0.0 108.546 178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.8 -29.12 16.15 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.778 -0.576 . . . . 0.0 109.813 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 135.86 39.19 0.16 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 24' ' ' ARG . . . -56.83 -156.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.229 -1.159 . . . . 0.0 110.4 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -38.8 1.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.373 -0.83 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.9 t -165.94 -166.47 0.93 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.219 -0.926 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 14.64 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 110.475 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 43.1 p-10 -57.02 -18.49 14.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 110.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 88.0 t -91.24 170.93 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -0.862 . . . . 0.0 110.22 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.523 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.2 p 174.34 175.43 0.16 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 39' ' ' SER . 42.3 t80 -47.99 -66.42 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.1 p -41.97 -42.65 2.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.287 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -70.87 -52.21 21.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.546 HG13 ' CG2' ' A' ' 20' ' ' VAL . 8.7 mm -67.73 -19.59 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.434 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.95 -60.05 2.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.1 -1.0 . . . . 0.0 110.132 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -50.75 -53.78 28.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 111.442 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 4.1 ptt? -45.82 -44.92 14.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 110.7 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -68.03 -54.53 17.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 110.321 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.11 -27.76 55.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -24.48 67.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.984 -1.073 . . . . 0.0 108.733 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' CD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -100.45 -5.15 27.52 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.36 0.6 . . . . 0.0 109.732 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 92.93 -4.28 74.84 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER 77.49 -22.15 0.3 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.456 -1.026 . . . . 0.0 111.273 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -30.8 61.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.565 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 t -59.48 -65.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 0.0 110.242 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' VAL . 75.9 t80 -41.41 -60.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.367 0 O-C-N 121.211 -0.931 . . . . 0.0 110.429 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 30.9 p-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.272 0.558 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.54 -11.05 9.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.9 mm -51.64 -39.27 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 110.242 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 35' ' ' PHE . 35.2 m -47.32 -40.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.923 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.99 -29.12 63.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -0.902 . . . . 0.0 110.064 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.06 -32.61 65.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.122 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.424 HD11 ' OG ' ' A' ' 39' ' ' SER . 11.9 mt -70.03 -18.87 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.208 -0.932 . . . . 0.0 110.146 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -46.31 90.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.291 -0.88 . . . . 0.0 110.163 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.1 -24.01 62.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.18 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 21.8 mm -69.66 -49.8 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.191 -0.943 . . . . 0.0 110.177 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' CG2' HG13 ' A' ' 38' ' ' ILE . 6.0 t -70.11 -55.59 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -44.87 -30.53 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 110.161 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 ttt-85 -49.75 -45.86 49.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 2.8 mmt180 -46.45 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.063 -1.023 . . . . 0.0 109.888 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 24.3 ttm-85 -58.94 -37.38 76.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.798 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 22' ' ' ARG . . . -45.01 -39.68 5.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 109.712 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.3 pt-20 -82.98 -21.18 34.02 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 124.1 29.79 1.08 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.83 -165.43 0.63 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -1.169 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -163.46 -168.72 1.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.126 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 60.85 136.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.196 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -85.15 16.08 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 0.0 110.343 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -30.46 46.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 HG22 ' CG1' ' A' ' 20' ' ' VAL . 11.1 p -96.59 153.59 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 155.41 8.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 110.136 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 6.7 t80 -48.09 -48.87 33.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.893 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -65.22 -38.04 89.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.279 -0.888 . . . . 0.0 110.302 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -67.2 -46.17 74.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 110.421 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.499 HG13 ' CG2' ' A' ' 20' ' ' VAL . 34.0 mm -68.93 -27.55 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.9 . . . . 0.0 110.299 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.424 ' OG ' HD11 ' A' ' 16' ' ' ILE . 28.0 m -74.46 -61.63 1.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' MET . 6.5 t -50.17 -44.61 52.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.385 -0.822 . . . . 0.0 110.832 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' THR . 2.8 ptt? -62.57 -31.19 71.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.024 -1.048 . . . . 0.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -68.03 -62.59 1.33 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.76 -38.54 91.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 40' ' ' THR . 3.2 mm-40 -56.44 -27.2 56.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.173 -0.954 . . . . 0.0 109.001 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.522 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.53 -11.09 20.4 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 78.74 30.16 49.26 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 42' ' ' LEU . 1.0 OUTLIER 36.87 28.65 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.625 -0.926 . . . . 0.0 111.031 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -74.53 -93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 HD12 ' A' ' 45' ' ' LEU . 23.4 m -44.9 -26.16 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.5 t80 -55.63 -55.68 29.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.073 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 110.555 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.77 -28.27 47.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.209 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.3 mm -55.22 -50.23 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.251 -0.905 . . . . 0.0 110.262 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' ILE . 48.9 t -41.55 -48.6 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.425 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.06 -38.85 69.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.218 -0.926 . . . . 0.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 23.3 ttpp -53.33 -30.89 41.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.231 -0.918 . . . . 0.0 110.451 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.48 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 6.5 mt -79.99 -40.47 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 0.0 110.089 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.78 -46.4 50.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 10.4 pttt -74.97 -23.39 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.455 HD12 ' HG2' ' A' ' 15' ' ' LYS . 46.5 mt -77.6 -35.13 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 38' ' ' ILE . 15.1 t -63.19 -48.98 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.66 -45.59 6.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 110.358 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 1.5 mpt_? -43.65 -44.08 6.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.284 -0.885 . . . . 0.0 110.277 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -43.16 -58.78 2.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 110.258 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -72.88 -35.63 67.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.139 -0.976 . . . . 0.0 109.843 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.43 -30.01 27.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.173 -0.954 . . . . 0.0 109.639 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.2 pt-20 -92.19 -21.56 20.3 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 115.71 54.73 0.36 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -50.91 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -1.152 . . . . 0.0 110.239 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.94 -43.9 0.47 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.63 149.61 21.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.5 m -76.76 2.49 14.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.933 . . . . 0.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.76 -15.31 7.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.501 ' CG2' ' HG2' ' A' ' 23' ' ' ARG . 25.3 t -55.54 141.09 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -0.901 . . . . 0.0 110.477 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 t 170.05 139.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.48 ' CE1' ' HB ' ' A' ' 16' ' ' ILE . 1.3 t80 -42.66 -45.13 4.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.12 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 39' ' ' SER . 49.2 m -67.04 -31.74 72.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.903 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' SER . 7.5 t -72.92 -54.35 8.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.277 -0.89 . . . . 0.0 109.88 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 20' ' ' VAL . 31.4 mm -61.44 -24.96 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.867 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 40' ' ' THR . 82.6 p -75.01 -63.35 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 41' ' ' MET . 7.1 t -50.07 -45.34 52.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.74 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -63.75 -33.24 75.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.974 -1.079 . . . . 0.0 110.24 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 47' ' ' LEU . 6.9 tp -68.85 -47.54 65.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -20.83 6.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -67.5 -29.83 69.36 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' CG1' ' A' ' 49' ' ' VAL . 1.3 mt -101.13 -11.31 19.68 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.29 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 59.12 32.36 71.18 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 68.82 -47.95 0.57 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.278 -1.13 . . . . 0.0 111.264 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -44.88 -71.94 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.891 -1.131 . . . . 0.0 110.752 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' CG1' HD22 ' A' ' 45' ' ' LEU . 21.5 t -54.41 -36.76 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.118 -0.989 . . . . 0.0 110.078 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 6.3 t80 -62.35 -45.12 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.954 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.332 0 O-C-N 121.336 -0.853 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.2 m-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.295 0.569 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -27.15 66.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.309 -0.87 . . . . 0.0 110.252 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 16' ' ' ILE . 1.3 pt -57.18 -30.61 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 110.486 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 48.3 t -45.94 -25.22 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 110.118 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -54.76 8.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.87 . . . . 0.0 110.466 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.7 ptmt -73.96 -40.35 63.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.806 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 7.0 mt -68.03 -11.79 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.948 -1.095 . . . . 0.0 110.133 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.03 75.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.298 -0.876 . . . . 0.0 110.295 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -74.32 -23.84 59.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.897 . . . . 0.0 110.232 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.515 HG22 ' CG2' ' A' ' 38' ' ' ILE . 25.2 mm -60.38 -47.96 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.52 HG11 ' CG1' ' A' ' 33' ' ' VAL . 25.0 t -60.2 -72.54 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.088 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' VAL . 2.0 mt-10 -41.37 -44.07 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.485 -0.76 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' ARG . 21.3 ttt180 -52.18 -46.58 65.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.954 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 4.9 mtt180 -43.78 -54.67 4.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.9 ttm180 -65.85 -53.59 37.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.82 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -27.67 1.05 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.102 -0.999 . . . . 0.0 108.974 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.17 -21.02 27.76 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.589 -0.694 . . . . 0.0 110.233 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.66 -26.74 2.51 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' ARG . . . -45.1 145.47 1.03 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.155 -1.203 . . . . 0.0 109.993 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -142.76 -161.04 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 110.448 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 29' ' ' LYS . 2.2 p 59.57 168.43 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 0.0 110.255 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.86 38.37 0.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -94.43 -18.0 21.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -0.931 . . . . 0.0 110.04 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.52 ' CG1' HG11 ' A' ' 20' ' ' VAL . 23.2 t -93.25 140.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 12.1 t 174.32 148.91 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.517 -0.739 . . . . 0.0 109.644 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' HG23 ' A' ' 20' ' ' VAL . 6.4 t80 -45.05 -56.83 4.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.01 -1.057 . . . . 0.0 109.799 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -35.13 16.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.905 . . . . 0.0 109.872 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -79.96 -50.33 10.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.442 -0.786 . . . . 0.0 110.01 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.519 HG13 ' CG2' ' A' ' 20' ' ' VAL . 14.6 mm -64.09 -31.29 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 109.983 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 2.5 p -74.52 -47.7 31.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 109.981 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -50.27 -54.39 21.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.266 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.52 -30.46 69.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.35 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' SD ' ' A' ' 41' ' ' MET . 1.5 mt -68.54 -51.16 45.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -45.23 69.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 111.053 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 9.0 pt-20 -53.1 -24.16 9.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.042 -1.036 . . . . 0.0 108.777 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.38 -19.05 16.46 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' LEU . . . 83.01 17.03 68.29 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 7.3 tp 53.33 18.28 1.26 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -1.196 . . . . 0.0 110.317 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 5.0 ttm180 -74.22 -93.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.118 -0.989 . . . . 0.0 110.889 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 45' ' ' LEU . 10.2 m -41.0 -35.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.559 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 13.4 t80 -54.28 -58.26 8.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.371 -0.831 . . . . 0.0 110.271 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.29 0 O-C-N 121.081 -1.012 . . . . 0.0 110.348 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.346 0.593 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' OE1' ' CA ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -63.51 -10.02 15.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.32 -0.862 . . . . 0.0 110.261 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.7 mm -51.56 -46.74 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.131 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -45.09 -42.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -72.26 -38.05 68.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -30.9 67.84 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.428 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 12' ' ' ILE . 8.6 mt -76.36 -38.37 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.198 -0.939 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -49.4 -35.47 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.157 -0.964 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -75.18 -22.29 58.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.0 110.262 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 31.2 mm -69.64 -51.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.149 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG22 ' CG2' ' A' ' 38' ' ' ILE . 12.7 t -63.27 -45.44 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.103 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.23 -36.24 79.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.0 110.508 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 4.5 mtt180 -42.86 -48.12 5.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.165 -0.959 . . . . 0.0 110.256 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.54 -48.04 7.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.348 -0.845 . . . . 0.0 109.615 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HA ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtp180 -73.64 -47.09 42.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.278 -0.889 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -14.77 7.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.33 -0.856 . . . . 0.0 109.772 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -122.2 -1.43 9.23 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.315 -0.866 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 140.74 63.11 0.03 OUTLIER Glycine 0 N--CA 1.492 2.418 0 C-N-CA 119.377 -1.392 . . . . 0.0 109.913 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.541 ' N ' ' HA ' ' A' ' 24' ' ' ARG . . . -41.85 139.81 1.16 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -1.121 . . . . 0.0 110.659 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.8 tmtt? -179.59 -62.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.231 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 p -106.68 40.01 1.72 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.43 -0.794 . . . . 0.0 109.201 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.482 ' HB ' ' HB3' ' A' ' 23' ' ' ARG . 8.6 t -102.28 12.72 36.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.643 -0.661 . . . . 0.0 110.127 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 5.5 t0 -46.57 -24.53 0.54 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.359 -0.838 . . . . 0.0 109.837 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 32' ' ' ASP . 6.4 m -57.28 -157.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.157 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -169.18 -158.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.385 -0.822 . . . . 0.0 110.205 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 39' ' ' SER . 1.0 OUTLIER -66.84 -69.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 110.094 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -33.7 2.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.165 -0.959 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.4 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -72.72 -63.74 1.1 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.293 -0.879 . . . . 0.0 110.013 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.529 ' CG2' HG22 ' A' ' 20' ' ' VAL . 17.2 mm -67.07 -7.79 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 110.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -69.5 -69.8 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 110.354 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.458 HG22 ' HG2' ' A' ' 44' ' ' GLU . 4.6 m -41.89 -30.51 0.26 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.35 -0.844 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.408 ' O ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -48.55 -64.71 0.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.318 -0.864 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -53.38 -55.85 21.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.913 . . . . 0.0 110.348 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.69 -39.01 64.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.199 -0.938 . . . . 0.0 110.332 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HG2' HG22 ' A' ' 40' ' ' THR . 19.0 mm-40 -61.69 -20.58 63.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.0 108.711 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD22 ' HB ' ' A' ' 49' ' ' VAL . 1.3 mp -100.44 -5.29 27.34 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.308 0.575 . . . . 0.0 109.795 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 76.2 6.71 83.75 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.1 mt 77.12 -15.27 0.76 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.757 -0.849 . . . . 0.0 111.031 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -74.78 -79.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.894 -1.129 . . . . 0.0 110.109 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' HB ' HD22 ' A' ' 45' ' ' LEU . 24.9 t -44.8 -37.51 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.872 . . . . 0.0 110.09 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.5 t80 -43.38 -58.7 2.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 110.125 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.304 -1.381 0 O-C-N 121.218 -0.926 . . . . 0.0 110.626 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 t0 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.18 0.514 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.2 80.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.795 . . . . 0.0 110.337 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.48 -25.84 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.165 -0.959 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 34.3 m -71.74 -28.63 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.78 -52.12 19.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -52.39 58.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.421 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.8 mm -60.46 -37.64 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.556 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 2.9 m-20 -46.0 -23.48 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 110.673 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -74.6 -63.69 1.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 0.0 110.144 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 50' ' ' TYR . 2.0 mp -48.78 -52.4 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.164 -0.96 . . . . 0.0 109.752 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.556 ' CG2' ' HA ' ' A' ' 17' ' ' ASN . 1.2 m -52.46 -66.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.12 -0.987 . . . . 0.0 110.497 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' H ' ' CG2' ' A' ' 20' ' ' VAL . 4.7 tp10 -50.27 -43.97 53.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.279 -0.888 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -47.4 -51.49 19.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 0.0 110.248 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 20.5 mmm180 -48.21 -54.42 13.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.179 -0.951 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -73.27 -39.18 65.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.0 109.59 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -37.76 7.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.271 -0.893 . . . . 0.0 109.311 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -80.48 -20.74 43.02 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 110.208 179.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.537 ' N ' ' HG3' ' A' ' 26' ' ' GLU . . . 118.25 35.09 1.05 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -66.29 -176.45 0.43 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.134 -1.215 . . . . 0.0 110.041 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' SER . 2.8 pttt -160.47 -162.28 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.198 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 62.16 146.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -84.51 13.19 5.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -22.11 60.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.1 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.54 140.08 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 1.8 p -176.91 145.12 0.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' SER . 39.5 t80 -43.05 -36.96 1.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -44.11 42.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 109.997 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -62.65 -53.1 59.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.2 mm -55.09 -37.51 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.328 -0.857 . . . . 0.0 110.241 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 m -65.71 -33.55 76.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 109.42 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 6.9 m -50.93 -69.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.526 -0.734 . . . . 0.0 110.761 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.94 -34.87 43.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 110.4 -179.438 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.638 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -68.28 -62.51 1.36 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.724 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 0.81 8.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.991 -1.068 . . . . 0.0 111.066 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 40' ' ' THR . 8.2 mt-10 -77.05 -38.1 53.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.862 -1.149 . . . . 0.0 108.203 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -101.29 -5.35 25.57 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.237 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.575 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 99.34 32.55 5.73 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.4 tt 40.99 25.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.094 -1.239 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' GLY . 4.9 ttp180 -75.0 -75.28 0.17 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.946 -1.096 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 50' ' ' TYR . 7.6 p -53.49 -38.96 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.116 -0.99 . . . . 0.0 110.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 8.1 t80 -47.52 -55.01 10.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 110.03 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.304 -1.386 0 O-C-N 121.263 -0.898 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.34 -15.38 10.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.259 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.5 pt -57.16 -20.95 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.0 110.214 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.572 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 4.8 p -50.65 -43.73 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.233 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -42.09 65.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -74.28 -46.37 41.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.222 -0.924 . . . . 0.0 110.897 -179.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 48.6 mt -59.9 -33.16 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 110.414 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -64.31 0.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.179 -0.95 . . . . 0.0 110.585 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -57.24 -23.11 45.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.202 -0.936 . . . . 0.0 110.478 -179.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 29.2 mm -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.567 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG22 ' CG2' ' A' ' 38' ' ' ILE . 18.3 t -54.33 -44.94 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.191 -0.943 . . . . 0.0 110.303 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 20.7 tt0 -59.75 -58.92 6.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.43 -0.794 . . . . 0.0 111.212 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.22 -50.96 4.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.102 -0.999 . . . . 0.0 110.671 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HG2' ' OG1' ' A' ' 31' ' ' THR . 0.2 OUTLIER -44.39 -71.52 0.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.976 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -65.89 -33.38 75.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.032 -1.042 . . . . 0.0 109.244 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -43.96 -35.84 2.21 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.899 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -87.99 -25.0 23.36 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.358 -0.839 . . . . 0.0 109.248 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 58.74 37.29 89.67 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -96.46 31.38 2.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.432 -1.04 . . . . 0.0 111.633 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 4.0 mttp 160.52 -162.76 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.679 -0.638 . . . . 0.0 110.02 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -90.0 38.48 0.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.83 . . . . 0.0 109.341 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.482 ' OG1' ' HG2' ' A' ' 23' ' ' ARG . 15.1 t -89.15 40.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.576 0.703 . . . . 0.0 109.551 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 24' ' ' ARG . 9.4 t70 -85.31 20.81 1.88 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.447 -0.783 . . . . 0.0 110.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG11 ' CG1' ' A' ' 38' ' ' ILE . 2.1 p -55.56 -158.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.492 -0.755 . . . . 0.0 110.216 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.473 ' HA ' HG13 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -158.74 -179.06 7.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.073 -1.017 . . . . 0.0 110.099 -179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 13' ' ' VAL . 15.8 t80 -62.78 -55.2 28.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.106 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -42.86 -41.83 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.95 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -80.04 -49.45 11.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.231 -0.918 . . . . 0.0 110.165 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.53 ' CG1' HG11 ' A' ' 33' ' ' VAL . 24.9 mm -67.22 -17.72 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 1.2 t -74.42 -69.81 0.43 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.17 -0.956 . . . . 0.0 110.477 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 37' ' ' SER . 7.2 t -41.19 -42.69 2.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.663 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 5.0 ptm -73.5 -26.67 61.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.412 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.4 OUTLIER -68.02 -52.77 31.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 110.622 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.18 88.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 110.47 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -28.48 67.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.06 -1.025 . . . . 0.0 109.002 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -100.59 5.68 44.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 58.05 25.84 57.4 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER 68.95 2.42 3.55 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.611 -0.935 . . . . 0.0 110.677 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -15.85 60.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 110.442 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.536 ' CG2' ' N ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -43.94 -90.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.504 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 51' ' ' GLU . 7.8 p90 -59.52 -31.55 69.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.785 -1.197 . . . . 0.0 110.14 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.607 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.305 -1.351 0 O-C-N 121.193 -0.942 . . . . 0.0 110.404 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 22.7 tt0 -65.7 -15.68 63.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.256 -0.903 . . . . 0.0 110.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 12' ' ' ILE . 38.6 mt -66.18 -31.01 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.188 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 10' ' ' ASP . 6.1 p -45.03 -38.63 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -72.06 -40.59 68.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LYS . 38.0 mtpt -68.14 -41.43 81.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.238 -0.914 . . . . 0.0 110.256 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 42' ' ' LEU . 44.1 mt -44.17 -46.6 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -20.87 61.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 110.433 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -75.17 -26.33 59.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.206 -0.934 . . . . 0.0 110.441 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 mt -76.94 -49.39 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 110.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' CA ' ' A' ' 34' ' ' SER . 11.8 t -58.91 -49.27 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 110.071 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.6 tt0 -59.55 -55.79 30.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 110.619 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.465 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.9 ttt-85 -48.25 -48.99 34.96 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.096 -1.002 . . . . 0.0 110.383 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HG2' ' CB ' ' A' ' 31' ' ' THR . 2.4 mpt_? -51.69 -68.63 0.15 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 110.178 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . 39.6 ttp180 -64.69 -30.61 71.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 22' ' ' ARG . . . -45.95 -48.67 16.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.219 -0.926 . . . . 0.0 108.682 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.04 -18.59 49.72 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.368 -0.833 . . . . 0.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 62.59 26.24 68.14 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . -111.39 40.34 2.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.393 -1.063 . . . . 0.0 110.804 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 179.57 161.67 0.86 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.954 . . . . 0.0 110.549 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 m -87.84 40.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.277 -0.889 . . . . 0.0 109.889 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.521 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -105.87 44.16 1.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.398 -0.814 . . . . 0.0 109.518 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 33' ' ' VAL . 8.7 p-10 -82.92 12.79 4.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 110.166 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 38' ' ' ILE . 21.1 m -57.0 -151.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.397 -0.814 . . . . 0.0 110.522 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.516 ' CA ' HG12 ' A' ' 20' ' ' VAL . 9.1 m -147.59 -154.46 0.55 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.35 -0.844 . . . . 0.0 110.094 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' O ' ' CB ' ' A' ' 39' ' ' SER . 34.1 t80 -71.45 -64.18 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.4 t -39.6 -40.39 0.88 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.0 m -72.59 -76.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.151 -0.968 . . . . 0.0 110.11 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.524 ' CD1' HG23 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.68 -34.32 16.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 31.2 t -55.95 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 110.25 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 24.4 m -41.96 -44.36 3.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.387 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.415 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.86 -58.27 4.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.295 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CD1' HG12 ' A' ' 16' ' ' ILE . 12.8 mt -47.18 -61.52 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.499 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -41.71 90.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.865 . . . . 0.0 110.646 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -60.81 -19.09 58.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.939 -1.101 . . . . 0.0 108.93 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD21 ' HB ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -100.32 -4.8 28.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.772 -0.58 . . . . 0.0 109.943 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 77.77 10.74 86.03 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.6 tp 77.9 -36.89 0.22 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.55 -0.971 . . . . 0.0 111.215 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.2 tmm_? -73.85 -65.56 0.82 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.831 -1.168 . . . . 0.0 110.355 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' HB ' HD21 ' A' ' 45' ' ' LEU . 24.6 t -42.06 -29.27 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.339 -0.851 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 47' ' ' LEU . 15.6 t80 -45.06 -59.87 2.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.36 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 O-C-N 121.314 -0.866 . . . . 0.0 110.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -137.12 93.04 2.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.6 t -109.09 82.04 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' ALA . 17.1 mt-30 48.01 -162.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.0 110.093 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 5' ' ' GLN . . . 61.01 124.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 110.135 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.91 149.39 50.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 110.237 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -84.72 111.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -123.35 -169.23 1.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.203 -0.936 . . . . 0.0 110.381 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -59.9 78.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -0.891 . . . . 0.0 110.261 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' SER . 11.7 tp10 -42.96 -26.79 0.15 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.209 -0.932 . . . . 0.0 110.156 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 12' ' ' ILE . 14.5 mm -51.93 -21.05 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 14' ' ' TYR . 11.4 p -46.7 -40.59 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.039 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.405 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 11.3 t80 -69.45 -28.99 66.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -50.41 47.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.317 -0.864 . . . . 0.0 110.09 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 HG12 ' CD1' ' A' ' 42' ' ' LEU . 17.5 mt -66.2 -33.9 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 0.0 110.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.05 -37.77 77.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 110.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -68.28 -36.83 79.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 110.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.471 HG13 ' OH ' ' A' ' 50' ' ' TYR . 24.3 mm -63.86 -58.7 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 110.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 38' ' ' ILE . 21.8 t -47.03 -53.5 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.958 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -46.73 70.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -50.31 -27.21 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.888 . . . . 0.0 110.091 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 29.1 mmm-85 -61.46 -57.98 10.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.094 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 mpp_? -68.93 -48.15 63.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.84 -34.45 1.61 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.427 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.23 -28.09 29.47 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.424 -0.798 . . . . 0.0 109.933 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 121.92 27.5 1.71 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.54 173.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -1.127 . . . . 0.0 110.098 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.56 172.46 12.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.63 146.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t -89.2 32.42 0.84 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 0.0 110.223 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.5 -22.55 30.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 20' ' ' VAL . 38.4 t -65.91 139.54 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 37' ' ' SER . 0.6 OUTLIER -175.69 151.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.169 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -43.39 -66.4 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.296 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -49.62 -40.06 37.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 34' ' ' SER . 15.1 m -62.84 -57.7 9.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 ' O ' ' CG ' ' A' ' 41' ' ' MET . 14.0 mm -62.61 -19.91 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.267 -0.896 . . . . 0.0 110.4 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -74.05 -52.7 11.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -48.98 -51.37 30.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 3.5 ptm -57.87 -29.54 65.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.901 . . . . 0.0 110.187 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.3 OUTLIER -68.49 -46.35 69.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.928 . . . . 0.0 110.391 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.15 -27.33 13.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -0.902 . . . . 0.0 110.614 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -63.32 -31.0 72.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.541 ' CD2' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -97.03 0.25 48.39 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.208 0.528 . . . . 0.0 109.776 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.43 42.22 25.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 10.9 tp 47.37 22.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.8 tpm_? -74.68 -120.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.924 . . . . 0.0 110.254 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' CG2' ' CD2' ' A' ' 45' ' ' LEU . 16.9 m -41.15 -27.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.147 -0.971 . . . . 0.0 110.123 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' CD2' HD22 ' A' ' 42' ' ' LEU . 29.2 t80 -55.93 -38.78 70.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.867 . . . . 0.0 109.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.65 -13.54 62.17 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 110.42 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.12 -32.72 67.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.9 . . . . 0.0 110.132 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -45.43 -32.9 2.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.174 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -83.89 -25.67 30.03 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.259 -0.901 . . . . 0.0 110.29 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 54' ' ' MET . 1.8 mt-10 45.22 -170.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.188 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.325 0.583 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -80.63 176.84 9.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.468 -0.77 . . . . 0.0 110.167 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 11.6 t 60.53 123.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 110.223 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.72 166.96 6.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.311 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.93 90.13 0.37 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.228 -0.92 . . . . 0.0 110.249 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -143.07 56.05 1.38 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.211 -0.93 . . . . 0.0 110.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.1 p -157.5 98.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.0 110.258 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLU . 3.0 m -148.13 130.98 16.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 110.065 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 24.3 p30 -60.02 78.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.228 -0.92 . . . . 0.0 110.239 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -58.01 -36.93 73.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.166 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 16' ' ' ILE . 13.9 mm -57.54 -45.31 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.161 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 10' ' ' ASP . 38.6 t -43.15 -53.18 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -72.01 -25.42 61.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -33.8 68.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.212 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG23 ' CB ' ' A' ' 39' ' ' SER . 22.8 mm -73.36 -45.03 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.157 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.417 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 3.8 m120 -45.59 -31.33 1.82 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -63.47 -54.22 39.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.79 -38.34 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.855 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG22 ' HB ' ' A' ' 38' ' ' ILE . 21.9 t -69.51 -60.83 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 3.3 mt-10 -43.94 -31.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.219 -0.926 . . . . 0.0 110.244 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -38.75 55.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.258 -0.901 . . . . 0.0 110.15 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.51 ' HG3' ' CG2' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -53.71 -71.23 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.083 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.77 -46.01 85.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.979 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -45.07 -36.86 3.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.067 -1.02 . . . . 0.0 109.313 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -29.99 34.88 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.41 -0.807 . . . . 0.0 110.025 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.89 34.5 0.47 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HB3' ' CD ' ' A' ' 23' ' ' ARG . . . -77.52 -170.1 1.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.18 -1.188 . . . . 0.0 110.159 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.275 -0.89 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -56.39 149.83 16.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 110.15 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 31' ' ' THR . 96.4 m -82.22 10.08 7.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.323 -0.861 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.27 2.11 16.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.845 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 40.2 t -121.92 149.67 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 110.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.13 151.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 0.0 110.183 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -47.72 -58.67 4.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -32.73 68.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 110.343 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.5 t -67.8 -55.42 13.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 ' HB ' HG22 ' A' ' 20' ' ' VAL . 15.2 mm -64.12 -50.8 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 110.332 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.527 ' CB ' HG23 ' A' ' 16' ' ' ILE . 2.1 p -55.48 -53.74 52.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.221 -0.924 . . . . 0.0 110.427 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 6.1 m -48.96 -56.32 9.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 110.526 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.532 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.8 ptt? -66.34 -23.17 66.31 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.925 . . . . 0.0 110.494 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.532 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -68.26 -53.36 25.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 110.558 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD22 ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.19 -44.4 92.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.0 110.607 -179.683 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -57.76 -21.36 41.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.129 -0.982 . . . . 0.0 109.066 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -100.5 -7.15 24.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.676 -0.64 . . . . 0.0 110.037 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 68.74 33.01 74.86 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 73.24 -3.22 2.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.393 -1.063 . . . . 0.0 110.778 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -75.08 1.78 12.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.065 -1.022 . . . . 0.0 110.369 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.585 ' CG2' ' CE2' ' A' ' 50' ' ' TYR . 10.8 m -56.21 -113.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.207 -0.933 . . . . 0.0 110.512 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.585 ' CE2' ' CG2' ' A' ' 49' ' ' VAL . 11.2 p90 -40.74 -28.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.07 -1.019 . . . . 0.0 110.444 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.66 -30.85 71.91 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 110.26 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . -74.04 -35.6 64.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 110.073 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.5 -59.46 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 110.448 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 8.5 ptm -62.43 -37.9 87.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.0 110.306 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 54' ' ' MET . 7.3 pt-20 38.8 -160.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.494 -0.754 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' OXT' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.234 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.158 0.504 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -170.53 -172.08 1.17 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.301 -0.874 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 4' ' ' VAL . 53.7 t -99.62 6.42 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.277 -0.889 . . . . 0.0 110.12 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 53.7 mt-30 58.98 157.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 54.37 89.22 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 110.245 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 35.4 t80 -160.62 50.94 0.28 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.094 -1.004 . . . . 0.0 110.271 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -176.81 130.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 110.286 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -150.8 140.77 22.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.24 71.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.882 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -71.14 -6.05 36.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.273 -0.892 . . . . 0.0 110.338 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 1.4 pt -64.78 -15.51 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 41.8 t -60.35 -66.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.198 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -31.31 71.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.31 -0.869 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -54.8 7.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.248 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.522 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 20.9 mm -61.43 -45.5 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 110.119 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.2 -41.72 18.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.342 -0.848 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -58.07 -36.64 73.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.916 . . . . 0.0 110.264 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 38.5 mm -70.74 -47.34 64.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.89 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.489 ' CG2' HG13 ' A' ' 38' ' ' ILE . 9.6 t -60.34 -46.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -51.67 -57.77 8.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.186 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -44.76 -46.77 10.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.098 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' HB2' HG11 ' A' ' 33' ' ' VAL . 9.0 mmt180 -52.55 -67.08 0.28 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.917 . . . . 0.0 110.2 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -60.37 -44.63 95.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 110.175 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . -43.68 -43.45 5.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.11 -20.09 26.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.399 -0.813 . . . . 0.0 110.167 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 34.53 59.42 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -97.01 40.22 1.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.092 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 177.37 32.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 0.0 109.91 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.36 -170.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 110.038 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -88.17 23.08 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.127 -0.983 . . . . 0.0 110.152 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -20.25 38.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 HG11 ' HB2' ' A' ' 23' ' ' ARG . 42.0 t -65.75 151.46 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.162 -0.961 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 179.09 148.05 0.21 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 110.162 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.539 ' CZ ' ' HA ' ' A' ' 13' ' ' VAL . 35.4 t80 -42.91 -61.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 40' ' ' THR . 60.1 p -46.91 -34.64 5.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.272 -0.893 . . . . 0.0 110.306 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -80.03 -42.88 22.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.277 -0.889 . . . . 0.0 110.261 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' CG2' ' A' ' 20' ' ' VAL . 27.4 mm -74.13 -37.63 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.133 -0.979 . . . . 0.0 110.134 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 t -74.42 -48.73 25.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.309 -0.869 . . . . 0.0 110.122 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 36' ' ' SER . 6.3 m -50.22 -47.9 54.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.365 -0.835 . . . . 0.0 110.639 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.69 -32.64 64.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 110.317 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.593 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 6.1 tt -66.74 -50.76 61.71 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -7.38 44.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.064 -1.023 . . . . 0.0 110.613 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -33.02 56.92 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 48' ' ' ARG . 0.7 OUTLIER -101.76 -3.49 28.01 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.882 179.16 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.01 28.76 55.84 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.593 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER 50.69 14.73 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.129 -1.218 . . . . 0.0 111.651 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -75.81 -73.27 0.27 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.719 -1.238 . . . . 0.0 110.616 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 21.5 t -49.92 -34.22 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CD2' HD21 ' A' ' 47' ' ' LEU . 36.9 t80 -44.65 -50.79 9.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 110.176 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -11.91 29.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.155 -0.966 . . . . 0.0 110.477 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . . . -78.3 -55.97 4.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.278 -0.889 . . . . 0.0 110.301 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -83.49 16.83 2.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.33 -0.856 . . . . 0.0 110.6 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.411 ' HE3' ' HB3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -54.24 -29.99 48.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 110.362 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.44 -165.6 0.81 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.346 0.593 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.1 ttpm? 56.65 73.25 0.46 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.929 . . . . 0.0 110.164 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 11.7 t 60.88 12.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.452 ' O ' ' O ' ' A' ' 4' ' ' VAL . 31.1 mt-30 54.86 164.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.078 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 5' ' ' GLN . . . 175.47 48.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.995 . . . . 0.0 110.231 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 47.84 73.88 0.19 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.413 ' O ' HG21 ' A' ' 8' ' ' VAL . 35.8 m -130.32 58.24 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.205 -0.934 . . . . 0.0 110.153 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -152.88 -174.46 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.279 -0.888 . . . . 0.0 110.11 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.49 77.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 0.0 110.152 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' SER . 10.8 mt-10 -70.85 -10.47 59.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 0.0 110.462 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 16' ' ' ILE . 6.4 mt -61.8 -26.55 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.197 -0.939 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.8 t -45.34 -50.97 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.203 -0.936 . . . . 0.0 110.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 3.0 t80 -69.49 -24.71 63.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 110.198 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -69.46 -54.88 12.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.368 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.417 HD12 HG22 ' A' ' 12' ' ' ILE . 54.5 mt -75.34 -25.01 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.289 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -65.0 -38.2 90.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 14' ' ' TYR . 12.6 mtpt -67.5 -37.3 82.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.177 -0.952 . . . . 0.0 110.067 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.522 HD12 ' CZ ' ' A' ' 50' ' ' TYR . 19.3 mt -53.96 -44.61 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG22 ' CG2' ' A' ' 38' ' ' ILE . 4.3 t -68.62 -49.45 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.165 -0.959 . . . . 0.0 110.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.28 -29.39 70.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.7 ttm-85 -44.4 -55.65 4.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 110.475 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.17 -45.0 5.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 0.0 110.03 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.56 ' HA ' ' CA ' ' A' ' 28' ' ' ALA . 21.4 ttm-85 -70.27 -58.14 4.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.932 . . . . 0.0 109.892 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -47.26 -24.11 0.67 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.155 -0.966 . . . . 0.0 109.007 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.98 -16.35 26.66 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.478 -0.764 . . . . 0.0 110.346 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.64 56.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.56 ' CA ' ' HA ' ' A' ' 24' ' ' ARG . . . -36.05 144.54 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.674 -0.898 . . . . 0.0 111.033 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.7 ttmt 179.74 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.39 34.52 4.85 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 121.817 0.818 . . . . 0.0 108.895 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.542 ' CB ' ' HB3' ' A' ' 23' ' ' ARG . 6.0 t -105.02 39.9 1.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.495 0.664 . . . . 0.0 109.767 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -51.12 -19.69 1.22 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.963 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' HG12 ' A' ' 38' ' ' ILE . 41.9 t -45.8 173.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.524 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 89.4 p -157.65 -175.83 5.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.793 -1.192 . . . . 0.0 110.757 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' SER . 9.3 t80 -60.13 -62.34 1.94 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 110.189 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.7 m -42.08 -40.87 2.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -39.71 28.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.367 -0.833 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.546 HG12 ' CG1' ' A' ' 33' ' ' VAL . 26.4 mm -75.87 -25.68 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.0 110.654 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 35' ' ' PHE . 8.4 t -74.28 -62.83 1.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 40' ' ' THR . 89.4 m -50.02 -20.11 0.88 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.903 . . . . 0.0 111.011 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 1.4 ptt? -68.62 -48.75 63.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.95 -1.094 . . . . 0.0 110.409 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 13.5 tp -69.05 -39.86 78.88 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.12 -0.988 . . . . 0.0 109.886 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.6 -23.27 0.63 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.241 -0.912 . . . . 0.0 110.243 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -66.76 -31.91 72.86 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' LEU . 12.2 mt -90.09 -13.81 35.06 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.224 0.535 . . . . 0.0 109.749 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 98.19 1.22 58.24 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 77.17 -18.99 0.45 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -1.106 . . . . 0.0 111.422 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 12.7 ptt180 -74.57 -43.38 55.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.795 -1.191 . . . . 0.0 110.503 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' N ' ' CG ' ' A' ' 48' ' ' ARG . 95.2 t -53.28 -71.47 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.199 -0.938 . . . . 0.0 110.382 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.522 ' CZ ' HD12 ' A' ' 19' ' ' ILE . 12.2 t80 -43.02 -57.43 2.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -25.23 66.49 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.296 -0.878 . . . . 0.0 110.477 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -78.3 -41.82 32.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.216 -0.928 . . . . 0.0 110.29 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -61.77 -23.38 66.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.346 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.413 ' O ' ' HE3' ' A' ' 54' ' ' MET . 7.8 ptm -99.53 20.92 13.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.31 172.17 19.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -0.879 . . . . 0.0 110.273 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 3.8 ptt85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.18 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.261 0.553 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' HB3' ' HG2' ' A' ' 5' ' ' GLN . 1.3 mmpt? -130.93 147.41 52.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -103.61 3.1 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 110.149 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.459 ' HG2' ' HB3' ' A' ' 3' ' ' LYS . 1.5 pt20 -66.62 -163.37 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.287 -0.883 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.03 45.79 14.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 110.179 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.477 ' O ' ' CB ' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -66.05 -175.72 0.34 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.427 -0.795 . . . . 0.0 110.283 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' TYR . 2.6 t 69.44 4.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.0 110.349 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 t 43.24 -152.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 110.374 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' SER . 10.3 p30 -31.95 90.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.484 0.659 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' SER . 13.9 tp10 -47.83 -21.28 0.39 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.688 -0.633 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 HG21 HD11 ' A' ' 12' ' ' ILE . 15.1 mm -51.45 -21.22 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 110.075 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 45.9 t -56.79 -65.81 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.91 . . . . 0.0 110.01 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -55.78 -22.01 22.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.99 -43.21 79.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 12' ' ' ILE . 10.7 mt -75.37 -11.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.04 -47.49 51.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.187 -0.946 . . . . 0.0 110.156 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -29.45 3.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 110.066 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.447 HG21 HG23 ' A' ' 38' ' ' ILE . 12.9 mm -76.11 -45.67 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.51 ' CG2' HG13 ' A' ' 38' ' ' ILE . 3.8 t -70.5 -51.21 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.912 . . . . 0.0 110.01 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.31 -44.15 5.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -43.18 -54.31 4.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.055 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -46.39 -47.23 18.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.272 -0.892 . . . . 0.0 109.881 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.1 ttm180 -71.56 -55.34 8.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.75 -30.31 0.63 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.263 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.4 27.59 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.736 . . . . 0.0 109.973 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 124.94 41.68 0.36 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . -91.94 174.96 7.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.152 -1.205 . . . . 0.0 110.063 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -173.89 -35.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 110.382 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 8.5 t -43.44 155.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.54 39.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.205 -0.934 . . . . 0.0 110.253 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.73 -30.22 11.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 110.116 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' OG ' ' A' ' 34' ' ' SER . 7.7 p -106.66 138.98 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.294 -0.879 . . . . 0.0 110.212 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 33' ' ' VAL . 15.9 m -163.95 145.43 8.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.0 110.206 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 44.2 t80 -43.3 -43.71 5.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.169 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -66.89 -32.88 74.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.9 -44.12 27.97 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.415 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.527 ' O ' ' CG ' ' A' ' 41' ' ' MET . 29.2 mm -70.12 -22.75 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.135 -0.978 . . . . 0.0 110.303 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 16' ' ' ILE . 1.7 t -74.81 -55.22 6.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 110.495 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.7 m -50.1 -33.94 20.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 0.0 111.028 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -62.9 -28.99 70.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.033 -1.042 . . . . 0.0 110.482 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.522 ' N ' ' HG3' ' A' ' 41' ' ' MET . 5.2 mt -68.86 -60.05 2.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -40.3 64.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 110.084 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.15 -23.12 63.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.124 -0.985 . . . . 0.0 108.556 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD23 ' CG1' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.45 -6.0 26.25 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.686 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.535 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 73.93 7.31 75.56 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 12.7 mt 73.58 -24.7 0.2 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.635 -0.92 . . . . 0.0 111.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.5 tpt180 -74.22 -69.17 0.46 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 110.385 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' CG1' HD23 ' A' ' 45' ' ' LEU . 61.4 t -41.63 -27.62 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 14.0 t80 -64.28 -50.71 66.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 110.255 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -12.93 11.85 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.308 -0.87 . . . . 0.0 110.2 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.47 -54.85 7.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.31 33.58 0.69 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.32 -0.862 . . . . 0.0 110.433 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.2 ptm -59.47 -25.33 64.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.0 110.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.04 -165.39 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.905 . . . . 0.0 110.073 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.205 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.205 0.526 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 104.04 4.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.298 -0.876 . . . . 0.0 110.106 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 5' ' ' GLN . 42.6 t 52.16 90.04 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 3.9 mm-40 -45.62 170.74 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.274 -0.891 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' GLN . . . 172.6 123.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.7 p90 -161.72 65.42 0.26 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 110.306 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 9' ' ' SER . 8.5 p -165.35 -43.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.49 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 171.75 45.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.179 -0.951 . . . . 0.0 110.264 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.47 -41.06 89.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 3.2 pt-20 -51.72 -21.08 2.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.239 -0.913 . . . . 0.0 110.392 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.7 mm -52.42 -57.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.298 -0.876 . . . . 0.0 110.263 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ILE . 91.2 t -43.34 -54.5 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.236 -0.915 . . . . 0.0 110.45 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.52 -23.86 64.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.218 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.39 -51.59 55.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 110.39 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 20' ' ' VAL . 7.0 mt -63.6 -18.07 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.94 -48.04 48.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 110.409 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 1.9 ptmt -62.59 -26.01 68.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 0.0 110.283 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 56.1 mt -79.46 -50.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' CG2' HG13 ' A' ' 38' ' ' ILE . 14.8 t -67.2 -46.63 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.136 -0.978 . . . . 0.0 110.163 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.76 -40.53 2.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.296 -0.878 . . . . 0.0 110.19 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 7.0 mtp180 -44.78 -41.39 6.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 109.957 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.514 ' HB2' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.74 -51.45 16.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -70.39 -49.96 43.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.813 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.3 -33.73 1.7 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.315 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -82.61 -28.32 30.88 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.529 -0.732 . . . . 0.0 109.958 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 97.01 20.73 22.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.7 174.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -1.163 . . . . 0.0 110.149 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -144.56 9.93 1.4 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.195 -0.941 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -111.35 134.29 53.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.195 -0.941 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -3.1 14.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.66 -31.22 6.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.937 . . . . 0.0 110.114 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' CG1' ' HB2' ' A' ' 23' ' ' ARG . 41.3 t -99.04 140.8 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 110.22 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 6.4 t -176.27 157.81 1.81 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 110.224 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 20' ' ' VAL . 19.7 t80 -49.33 -61.91 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.156 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -52.64 -33.37 46.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -0.93 . . . . 0.0 110.257 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -72.75 -54.52 8.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 110.215 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.533 HG13 ' CG2' ' A' ' 20' ' ' VAL . 12.3 mm -59.79 -46.32 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.174 -0.954 . . . . 0.0 110.227 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -46.8 -44.26 19.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 110.099 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 51.9 m -50.05 -69.0 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.516 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 2.3 ptt? -52.48 -23.75 6.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -68.73 -65.88 0.64 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 110.707 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.64 -27.62 65.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 0.0 111.016 -179.312 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 40' ' ' THR . 15.5 mt-10 -66.81 -36.66 82.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.877 -1.139 . . . . 0.0 108.078 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.24 8.15 42.66 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 59.85 25.11 61.12 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.7 OUTLIER 33.12 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 122.05 -0.677 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' GLY . 28.8 ttt180 -74.53 -15.84 60.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 0.0 110.752 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.467 ' O ' ' O ' ' A' ' 48' ' ' ARG . 3.5 m -52.83 -105.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.222 -0.924 . . . . 0.0 110.59 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 51' ' ' GLU . 2.7 p90 -43.43 -33.59 1.1 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.826 -1.171 . . . . 0.0 111.012 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.44 -11.58 34.72 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.008 -1.058 . . . . 0.0 110.667 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.58 62.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.895 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -86.22 -11.12 53.27 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.212 -0.93 . . . . 0.0 110.304 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.461 ' HB2' ' HA ' ' A' ' 51' ' ' GLU . 3.8 mmt -96.35 26.44 4.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -58.64 -174.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.176 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.234 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -132.58 166.29 22.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.401 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 5' ' ' GLN . 66.4 t -110.4 139.2 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' VAL . 12.1 mt-30 -45.78 170.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.443 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.02 101.94 5.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.943 . . . . 0.0 110.007 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -105.53 -168.78 1.5 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 110.412 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 p -69.37 89.76 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.197 -0.94 . . . . 0.0 110.128 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.5 p -87.85 -158.77 0.48 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.311 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLU . 2.7 m-20 -56.28 81.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.344 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -40.91 -31.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.491 -0.755 . . . . 0.0 110.434 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 12' ' ' ILE . 5.1 mt -52.85 -29.13 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG21 ' CZ ' ' A' ' 35' ' ' PHE . 3.1 p -45.48 -49.29 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.0 110.237 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -72.43 -32.18 66.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.143 -0.973 . . . . 0.0 110.015 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 18' ' ' LYS . 25.1 tttt -56.75 -48.79 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 110.245 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 HG22 HG22 ' A' ' 38' ' ' ILE . 46.9 mm -54.17 -46.51 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 81.6 m-20 -45.68 -53.66 9.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -43.8 -41.34 4.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.401 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.439 HG13 HD11 ' A' ' 42' ' ' LEU . 26.6 mm -78.09 -32.03 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 110.256 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 HG23 ' CG2' ' A' ' 38' ' ' ILE . 6.3 t -71.09 -48.28 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.241 -0.912 . . . . 0.0 110.19 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.19 -53.92 43.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.2 -49.73 16.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.101 -1.0 . . . . 0.0 110.2 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 6.7 mmp_? -48.08 -71.64 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.264 -0.897 . . . . 0.0 110.188 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . 1.3 mtt-85 -60.58 -45.24 94.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 109.951 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.08 -39.21 4.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.299 -0.876 . . . . 0.0 109.793 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 3.7 mt-10 -91.45 -19.63 22.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.423 -0.798 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.35 40.76 47.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -107.11 44.52 1.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -1.172 . . . . 0.0 110.198 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER 169.96 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.818 . . . . 0.0 110.064 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -56.58 -160.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 110.02 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.5 p -72.41 52.21 0.27 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.7 -29.12 11.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.138 -0.976 . . . . 0.0 110.063 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 34' ' ' SER . 92.3 t -71.12 158.44 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.837 . . . . 0.0 110.307 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER 170.81 146.25 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.954 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 40.7 t80 -44.77 -52.63 8.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 110.111 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.7 t -65.08 -28.4 69.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 110.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.3 t -80.1 -52.97 7.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 110.453 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.534 ' CG2' HG23 ' A' ' 20' ' ' VAL . 22.0 mm -67.24 -19.62 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' HG21 ' A' ' 16' ' ' ILE . 1.5 m -65.3 -66.57 0.53 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.08 -1.013 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.2 m -50.33 -38.06 39.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 110.459 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.559 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.26 -40.28 89.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 110.05 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HG ' ' CZ ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -68.87 -31.26 70.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 110.213 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.25 -45.49 63.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.306 -0.871 . . . . 0.0 110.793 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' ' 41' ' ' MET . 5.6 pt-20 -54.17 -33.26 57.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 108.79 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -9.33 58.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.826 -0.546 . . . . 0.0 109.82 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 66.18 38.99 94.37 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.619 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.2 mt 41.47 40.84 1.4 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.187 -1.184 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -76.72 -77.71 0.14 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.365 -0.834 . . . . 0.0 112.339 -178.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 51' ' ' GLU . 55.2 t -39.42 -85.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.136 -0.978 . . . . 0.0 111.451 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -33.42 -29.43 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.867 -0.52 . . . . 0.0 111.655 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.11 -32.64 70.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.86 -1.15 . . . . 0.0 110.783 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 54' ' ' MET . . . -51.63 -30.51 21.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.136 -0.978 . . . . 0.0 110.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' MET . 13.1 mm-40 -57.43 -27.35 62.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 110.217 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER 62.32 46.01 6.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 110.312 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 26.92 5.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.086 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.289 -2.046 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.239 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.277 0.561 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 43.63 73.75 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 110.269 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 5' ' ' GLN . 73.6 t -124.25 -53.97 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 4' ' ' VAL . 0.6 OUTLIER -179.12 -166.08 0.09 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 110.094 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 7' ' ' TYR . . . -172.03 89.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 6' ' ' ALA . 12.3 t80 56.73 159.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.301 -0.874 . . . . 0.0 110.275 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t -115.77 135.11 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -135.92 -160.58 1.07 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 12' ' ' ILE . 9.8 p-10 -58.93 79.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 2.3 tt0 -66.4 60.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.417 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 10' ' ' ASP . 9.5 mm -88.32 -59.95 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 109.989 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 35.8 m -47.2 -31.4 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.52 -38.9 71.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HG13 ' A' ' 19' ' ' ILE . 1.7 mtmt -68.56 -32.93 73.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.0 110.106 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.55 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 13.8 mt -70.96 -44.2 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 0.0 110.101 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -55.4 -35.39 65.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -73.53 -21.67 60.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.307 -0.871 . . . . 0.0 110.325 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 16' ' ' ILE . 95.7 mt -83.6 -33.84 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.209 -0.932 . . . . 0.0 110.283 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 16' ' ' ILE . 4.5 t -71.12 -48.71 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.349 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 11.3 pt-20 -55.37 -37.79 67.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.231 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 8.5 tpm_? -46.33 -32.39 3.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.525 ' HG2' ' CG2' ' A' ' 31' ' ' THR . 16.5 mtt85 -60.52 -83.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.345 -0.847 . . . . 0.0 109.893 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -54.98 -30.79 59.96 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.097 -1.002 . . . . 0.0 109.541 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 21' ' ' GLU . . . -47.17 -46.36 23.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.244 -0.91 . . . . 0.0 109.415 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' A' ' 23' ' ' ARG . 2.5 pt-20 -78.92 -23.04 44.95 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.331 -0.856 . . . . 0.0 110.136 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.94 42.79 2.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.526 ' CB ' ' OG1' ' A' ' 31' ' ' THR . . . -59.88 -160.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -1.155 . . . . 0.0 110.304 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 30' ' ' SER . 8.1 ptpp? -127.79 -44.51 1.49 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.279 -0.888 . . . . 0.0 110.149 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.6 m -128.39 25.5 5.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 0.0 109.883 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -107.3 40.03 1.77 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 33' ' ' VAL . 34.7 t70 -86.49 22.0 1.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.489 -0.757 . . . . 0.0 110.272 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 38' ' ' ILE . 29.0 m -52.44 -168.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.441 -0.787 . . . . 0.0 110.224 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -147.24 174.57 11.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.015 -1.053 . . . . 0.0 110.483 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 4.8 t80 -52.01 -65.87 0.48 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.392 -0.817 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -42.57 -47.29 5.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -59.46 2.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 110.179 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.53 ' CD1' HG23 ' A' ' 33' ' ' VAL . 10.1 mm -55.62 -20.43 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.577 ' OG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m -73.72 -48.8 29.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.197 -0.939 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.8 m -50.01 -57.83 6.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.6 ptm -57.85 -25.56 60.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -66.41 -61.49 1.97 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 110.4 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -31.58 72.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.158 -0.964 . . . . 0.0 110.32 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -32.25 73.75 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -96.75 -3.47 42.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 67.44 26.48 73.58 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.533 ' CD2' ' HG3' ' A' ' 51' ' ' GLU . 5.0 tt 43.59 24.98 0.07 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.211 -1.17 . . . . 0.0 110.624 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' VAL . 4.9 mmt85 -75.89 -49.36 18.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.228 -0.92 . . . . 0.0 111.912 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.534 ' O ' ' N ' ' A' ' 51' ' ' GLU . 54.6 t -39.52 -96.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.07 -1.018 . . . . 0.0 111.814 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.479 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -35.66 -29.7 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.404 -0.81 . . . . 0.0 110.966 -178.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -76.83 -37.82 54.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.519 -179.37 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 49' ' ' VAL . . . -67.88 -12.57 60.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -124.79 38.98 4.08 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.267 -0.896 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -75.82 -21.18 57.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -141.33 177.61 7.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.19 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.271 0.557 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.97 103.28 15.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.237 -0.914 . . . . 0.0 110.168 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.42 84.06 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.265 -0.897 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -100.22 161.08 13.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.145 -0.972 . . . . 0.0 110.235 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.02 108.83 1.74 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.911 . . . . 0.0 110.156 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -86.42 154.05 21.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.164 -0.96 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t 50.48 90.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.213 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' GLU . 5.1 t -134.5 136.99 43.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.244 -0.91 . . . . 0.0 110.226 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 20.5 p-10 -62.47 73.14 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.318 -0.864 . . . . 0.0 110.319 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.1 tt0 -71.0 64.74 0.34 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -0.893 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' CG2' HD11 ' A' ' 16' ' ' ILE . 10.3 mm -81.3 -42.23 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.0 110.186 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 53.0 t -46.06 -49.06 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -0.957 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -61.67 -47.58 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -45.77 92.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.123 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.525 HD11 ' CG2' ' A' ' 12' ' ' ILE . 18.4 mt -64.7 -55.17 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -0.931 . . . . 0.0 110.001 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -45.86 -47.76 15.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASN . 1.4 mtpt -43.99 -43.83 6.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 0.0 110.023 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.47 -35.24 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.9 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG21 ' CG2' ' A' ' 38' ' ' ILE . 3.2 t -70.44 -50.86 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.227 -0.921 . . . . 0.0 109.925 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -53.73 -24.01 13.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.085 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.522 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 tpt180 -68.02 -57.54 5.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.905 . . . . 0.0 110.085 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -55.99 5.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 109.731 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' CG ' ' N ' ' A' ' 25' ' ' ALA . 8.2 ptm180 -69.6 -39.32 77.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.853 . . . . 0.0 109.619 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 21' ' ' GLU . . . -44.08 -43.29 6.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 0.0 109.179 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.07 -30.11 62.22 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.548 -0.72 . . . . 0.0 109.759 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 89.62 14.62 59.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.544 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -110.36 35.74 3.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.141 -1.211 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 163.17 34.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.741 -0.599 . . . . 0.0 109.997 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.7 p -89.75 16.95 7.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 110.075 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -108.01 -35.33 6.64 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.611 0.719 . . . . 0.0 109.12 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.24 -47.84 4.19 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.323 0.582 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 29' ' ' LYS . 5.7 p -45.75 148.89 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 110.501 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' PHE . 3.3 t -175.52 146.29 0.77 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.359 -0.838 . . . . 0.0 110.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' SER . 40.8 t80 -42.81 -55.71 3.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.327 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -55.96 -28.97 59.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -80.2 -43.54 21.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 0.0 110.448 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.529 ' CG2' HG21 ' A' ' 20' ' ' VAL . 27.8 mm -71.46 -44.38 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.196 -0.94 . . . . 0.0 110.639 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.432 ' HB2' HD12 ' A' ' 16' ' ' ILE . 2.1 t -65.08 -45.26 86.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.083 -1.011 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.45 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 9.3 m -50.21 -54.65 19.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.251 -0.906 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -70.38 -27.37 64.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.082 -1.011 . . . . 0.0 110.718 -179.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -67.05 -48.28 68.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.512 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -43.29 78.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.148 -0.97 . . . . 0.0 110.55 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 40' ' ' THR . 34.7 mt-10 -57.69 -28.17 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 109.087 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.529 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.38 -2.8 32.5 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.715 -0.615 . . . . 0.0 109.466 179.421 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 51.95 41.28 51.87 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 35.47 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.83 -0.806 . . . . 0.0 110.937 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -74.16 -88.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.117 -0.989 . . . . 0.0 110.316 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' HD12 ' A' ' 45' ' ' LEU . 7.1 p -48.15 -24.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -0.983 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.3 t80 -58.05 -54.34 48.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.112 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -10.61 58.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.251 -0.906 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . -80.19 -56.72 4.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.252 -0.905 . . . . 0.0 110.373 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 2.8 pt20 -52.94 -21.87 4.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 110.319 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.7 mmm -88.01 -50.15 6.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.28 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ALA . 1.3 mt-10 -126.1 166.99 15.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.192 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.218 0.532 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 61.77 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.195 -0.941 . . . . 0.0 110.181 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 t -121.83 -41.21 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.187 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.428 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 4.5 mt-30 45.82 -167.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.937 . . . . 0.0 110.313 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' GLN . . . 66.04 89.95 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.183 -0.948 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -53.12 104.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 110.151 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t 50.02 79.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -83.53 148.07 27.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 110.354 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.09 78.09 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.198 -0.939 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . 12.1 tm-20 -59.53 -13.86 10.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' HG12 ' A' ' 16' ' ' ILE . 11.8 mm -70.99 -35.52 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.205 -0.935 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.5 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 90.0 t -41.66 -45.58 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.344 -0.847 . . . . 0.0 110.248 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.33 58.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' O ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -51.91 -39.77 59.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.701 -179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 19' ' ' ILE . 43.0 mm -67.46 -46.83 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 110.225 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 13' ' ' VAL . 36.4 m-80 -44.07 -31.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -54.06 11.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.289 -0.882 . . . . 0.0 110.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.509 ' CG2' HG21 ' A' ' 38' ' ' ILE . 5.8 mt -52.33 -51.38 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.558 ' CG2' ' HB ' ' A' ' 38' ' ' ILE . 47.1 t -63.34 -61.24 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' ARG . 12.5 mm-40 -49.31 -43.38 43.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.269 -0.894 . . . . 0.0 110.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -43.86 -48.84 8.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.0 110.106 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -44.53 -53.82 6.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.903 . . . . 0.0 110.043 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -54.67 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 110.116 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.56 -23.18 0.91 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.597 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.11 -24.76 14.5 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.364 -0.835 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 123.71 58.65 0.19 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -55.49 -162.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -1.048 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -45.88 0.48 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.129 -0.982 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -145.43 -171.47 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -82.41 9.48 9.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -49.97 -27.34 5.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' HG11 ' A' ' 33' ' ' VAL . 13.9 p -95.69 148.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.178 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.438 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 19.6 m -155.26 150.86 27.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -57.25 -40.7 78.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 0.0 110.159 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -69.27 -27.72 65.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.312 -0.867 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.438 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 1.0 OUTLIER -79.95 -43.55 21.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 0.0 110.427 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.558 ' HB ' ' CG2' ' A' ' 20' ' ' VAL . 15.6 mm -75.24 -22.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -61.63 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.555 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 4.4 t -41.39 -35.09 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -60.32 2.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.314 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.569 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.3 mm? -56.8 -59.01 5.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.229 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -43.92 43.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.238 -0.913 . . . . 0.0 110.316 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 40' ' ' THR . 26.2 mt-10 -62.75 -18.27 62.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.109 -0.994 . . . . 0.0 108.648 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' CD2' HG12 ' A' ' 49' ' ' VAL . 3.8 mt -99.08 -3.37 34.84 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.768 -0.583 . . . . 0.0 109.625 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 69.26 7.07 56.57 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.546 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 77.46 -32.3 0.18 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.544 -0.974 . . . . 0.0 111.402 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.6 tpp180 -70.55 -65.95 0.67 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.861 -1.149 . . . . 0.0 110.52 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' CD2' ' A' ' 45' ' ' LEU . 24.8 t -42.13 -32.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.293 -0.88 . . . . 0.0 110.343 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 20.2 t80 -74.2 -68.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.154 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -20.56 39.13 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.267 -0.896 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.41 -25.02 65.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.183 -0.948 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 54' ' ' MET . 17.8 pt20 -49.17 -43.12 41.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.871 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 47.4 mtp -154.49 -67.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 110.162 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' MET . 16.2 tt0 -179.72 155.92 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.188 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.248 0.547 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -112.79 81.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.0 110.208 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 3' ' ' LYS . 26.8 m 35.71 76.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 21.7 mt-30 61.08 157.13 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 0.0 110.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 100.12 4.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -119.06 51.78 1.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.198 -0.938 . . . . 0.0 110.552 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -114.84 59.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.191 -0.943 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.47 52.16 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.107 -0.996 . . . . 0.0 110.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.76 -43.85 97.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.89 . . . . 0.0 110.44 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.55 -46.2 13.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.546 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 HD11 HD22 ' A' ' 47' ' ' LEU . 13.0 mm -51.78 -47.25 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 110.327 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.16 -33.52 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -49.94 72.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' CE ' ' HE1' ' A' ' 54' ' ' MET . 0.0 OUTLIER -52.44 -27.87 17.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 42' ' ' LEU . 25.6 mm -74.55 -61.52 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.245 -0.91 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 32.4 m-20 -42.05 -26.81 0.1 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ILE . 23.4 mttm -75.96 -60.53 2.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.15 -0.969 . . . . 0.0 109.433 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG23 HG21 ' A' ' 38' ' ' ILE . 37.0 mt -48.11 -54.68 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' CG1' HG13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -44.8 -69.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.297 -0.877 . . . . 0.0 109.921 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -46.21 -27.85 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.616 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -71.09 -35.21 71.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HG2' HG21 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -43.53 -43.13 5.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.149 -0.97 . . . . 0.0 110.181 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.4 mtt180 -72.74 -60.32 2.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 110.11 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.77 -27.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 109.18 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -85.23 -30.0 24.21 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.53 -0.731 . . . . 0.0 110.065 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 126.72 48.99 0.18 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -53.77 -169.17 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -1.118 . . . . 0.0 110.217 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -129.69 -49.86 1.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 0.0 110.249 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.83 -166.21 2.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 t -87.38 0.07 56.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -51.16 -26.3 6.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG21 ' HG2' ' A' ' 23' ' ' ARG . 7.9 p -81.9 146.49 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 -179.25 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.089 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 16' ' ' ILE . 67.8 t80 -55.58 -62.57 1.59 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.959 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -48.36 -47.05 37.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 110.214 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.6 t -61.77 -64.24 1.0 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.149 -0.97 . . . . 0.0 110.505 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.559 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.0 mm -55.02 -38.22 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.93 . . . . 0.0 110.302 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 t -74.43 -48.74 25.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 110.56 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 36' ' ' SER . 24.2 m -50.23 -42.74 52.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.325 -0.859 . . . . 0.0 110.899 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.512 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.5 ptt? -67.9 -29.68 68.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.171 -0.955 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -68.62 -48.56 63.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 110.349 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -15.23 62.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.232 -0.918 . . . . 0.0 110.523 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 41' ' ' MET . 1.5 mm-40 -65.62 -31.3 72.25 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 HD22 ' HB ' ' A' ' 49' ' ' VAL . 2.2 mp -100.82 -6.77 24.36 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.303 0.573 . . . . 0.0 109.548 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 82.26 19.77 63.93 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 63.86 7.91 3.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -1.182 . . . . 0.0 110.489 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -81.37 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.913 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 98.7 t -43.01 -35.97 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' OH ' HD11 ' A' ' 19' ' ' ILE . 61.1 t80 -50.73 -53.14 33.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 110.12 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -62.42 -13.04 25.39 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.44 -0.788 . . . . 0.0 110.323 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -62.47 -46.46 88.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.153 -0.967 . . . . 0.0 109.906 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -95.46 38.18 1.16 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.347 -0.846 . . . . 0.0 110.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.467 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.66 -47.78 79.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.27 -0.894 . . . . 0.0 110.204 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 47.7 tt0 -134.44 159.97 39.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.934 . . . . 0.0 110.252 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.194 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.278 0.561 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' VAL . 5.0 ttmm -86.78 61.27 6.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.343 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' LYS . 6.8 p -43.96 146.21 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.273 -0.892 . . . . 0.0 110.124 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -68.72 157.91 35.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.253 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.8 80.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 110.224 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 17.2 t80 -95.33 166.73 11.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.451 -0.78 . . . . 0.0 110.085 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 7' ' ' TYR . 42.5 t 54.63 -89.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.0 m -113.55 137.59 51.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.0 110.147 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.32 -128.9 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.216 -0.928 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -13.6 59.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.31 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 ' O ' HG12 ' A' ' 16' ' ' ILE . 15.6 mm -54.37 -30.39 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.312 -0.868 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' A' ' 14' ' ' TYR . 33.2 m -46.44 -45.2 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 110.373 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' LYS . 96.5 m-85 -63.46 -60.55 3.22 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.185 -0.947 . . . . 0.0 110.375 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.65 -35.88 1.24 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.483 -0.76 . . . . 0.0 110.671 -179.117 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 16' ' ' ILE . 18.3 mm -72.09 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.442 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -43.96 -26.23 0.26 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.23 -0.918 . . . . 0.0 110.14 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -76.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 0.0 110.622 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.556 ' CG2' ' N ' ' A' ' 20' ' ' VAL . 2.8 tp -44.82 -44.9 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.756 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 15.1 t -59.86 -49.34 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.132 -0.98 . . . . 0.0 110.398 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.2 tt0 -42.65 -46.9 5.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.222 -0.924 . . . . 0.0 110.492 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.2 mtt180 -42.91 -50.25 5.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.163 -0.961 . . . . 0.0 110.31 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.525 ' HG2' ' CB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -47.99 -59.06 3.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 110.156 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.23 -49.3 64.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.913 . . . . 0.0 110.086 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.33 -32.02 1.2 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.463 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -27.8 27.72 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.485 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 117.28 47.12 0.48 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -103.69 152.68 21.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mtmt -145.04 63.24 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.49 149.84 38.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 0.0 110.127 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 m -66.32 -7.58 19.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.283 -0.886 . . . . 0.0 110.316 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -34.63 46.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.239 -0.913 . . . . 0.0 110.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 12.0 p -120.03 145.72 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER 172.0 -175.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.245 -0.91 . . . . 0.0 109.987 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' ' OG ' ' A' ' 34' ' ' SER . 33.5 t80 -68.27 -64.07 0.94 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 0.0 110.092 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -68.9 -14.75 63.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.4 t -78.83 -63.96 1.29 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.986 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 HG23 ' CG2' ' A' ' 19' ' ' ILE . 1.1 mp -61.26 -40.88 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.219 -0.926 . . . . 0.0 109.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -53.69 -41.87 67.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.093 -1.004 . . . . 0.0 109.989 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.414 HG21 ' OE1' ' A' ' 44' ' ' GLU . 23.7 m -48.51 -72.02 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.233 -0.917 . . . . 0.0 110.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 5.2 ptt? -51.65 -30.98 23.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -68.45 -56.13 9.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.545 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.48 -45.86 90.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.123 -0.985 . . . . 0.0 110.687 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' OE1' HG21 ' A' ' 40' ' ' THR . 1.5 mp0 -56.16 -23.41 34.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.112 -0.992 . . . . 0.0 109.388 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.52 1.27 40.85 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.65 -0.656 . . . . 0.0 109.462 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.557 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 55.73 45.04 86.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.687 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER 21.21 44.84 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -75.32 -87.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.086 -1.009 . . . . 0.0 109.968 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 50' ' ' TYR . 9.7 p -57.5 -18.02 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 0.0 109.768 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 62.6 t80 -72.03 -53.33 13.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 109.949 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -71.55 -4.39 26.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.23 -0.919 . . . . 0.0 110.295 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 55' ' ' GLU . . . -77.18 -47.02 21.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.303 -0.873 . . . . 0.0 110.269 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 18.3 pt20 -48.31 -34.16 10.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 0.0 110.052 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 1.6 mmt -75.86 -19.04 59.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 0.0 110.11 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 52' ' ' ALA . 29.7 tt0 -101.1 167.69 10.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 110.341 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.201 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.29 0.567 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -101.97 48.13 0.88 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.22 -0.925 . . . . 0.0 110.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 5' ' ' GLN . 11.2 m -120.24 41.01 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 110.391 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' VAL . 50.6 mt-30 43.2 -167.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' TYR . . . -122.12 80.24 1.69 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 110.347 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 8' ' ' VAL . 24.0 m-85 40.63 70.85 0.22 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.431 -0.793 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 7' ' ' TYR . 78.6 t 49.72 100.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.344 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.86 148.82 0.72 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.0 p30 -71.43 -2.36 16.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.0 110.54 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -43.57 -27.39 0.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.464 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HG12 ' A' ' 16' ' ' ILE . 9.0 mm -73.83 -21.98 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 0.0 110.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.51 -33.41 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -71.32 -33.97 70.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.7 mttt -74.01 -49.19 25.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.0 110.386 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.518 ' CD1' HD12 ' A' ' 42' ' ' LEU . 19.0 mm -42.54 -43.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.06 -31.19 68.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LYS . 10.5 mtpp -63.78 -46.52 84.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 110.304 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.507 ' HB ' ' CG2' ' A' ' 38' ' ' ILE . 17.4 mm -49.05 -58.12 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.845 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.546 ' CG2' HG13 ' A' ' 38' ' ' ILE . 2.3 t -44.49 -72.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -38.26 -40.14 0.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.708 -0.62 . . . . 0.0 110.563 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -37.09 78.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.902 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' CD ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.56 -55.87 6.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -0.898 . . . . 0.0 109.727 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -72.99 -25.59 61.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 0.0 109.741 179.585 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.508 ' N ' ' HG3' ' A' ' 24' ' ' ARG . . . -68.8 -23.07 64.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.084 -1.01 . . . . 0.0 108.546 178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.8 -29.12 16.15 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.778 -0.576 . . . . 0.0 109.813 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 135.86 39.19 0.16 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 24' ' ' ARG . . . -56.83 -156.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.229 -1.159 . . . . 0.0 110.4 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -38.8 1.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.373 -0.83 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.9 t -165.94 -166.47 0.93 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.219 -0.926 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 14.64 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 110.475 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 43.1 p-10 -57.02 -18.49 14.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 110.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.532 ' CG2' ' CD ' ' A' ' 23' ' ' ARG . 88.0 t -91.24 170.93 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -0.862 . . . . 0.0 110.22 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.523 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.2 p 174.34 175.43 0.16 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 39' ' ' SER . 42.3 t80 -47.99 -66.42 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.1 p -41.97 -42.65 2.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.287 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -70.87 -52.21 21.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.546 HG13 ' CG2' ' A' ' 20' ' ' VAL . 8.7 mm -67.73 -19.59 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.434 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.95 -60.05 2.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.1 -1.0 . . . . 0.0 110.132 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -50.75 -53.78 28.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 111.442 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 4.1 ptt? -45.82 -44.92 14.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 110.7 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -68.03 -54.53 17.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 110.321 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.11 -27.76 55.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -24.48 67.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.984 -1.073 . . . . 0.0 108.733 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' CD2' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -100.45 -5.15 27.52 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.36 0.6 . . . . 0.0 109.732 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 92.93 -4.28 74.84 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER 77.49 -22.15 0.3 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.456 -1.026 . . . . 0.0 111.273 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -30.8 61.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.565 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 58.8 t -59.48 -65.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 0.0 110.242 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' VAL . 75.9 t80 -41.41 -60.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -36.9 75.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.211 -0.931 . . . . 0.0 110.429 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . -69.66 -43.49 72.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -16.82 4.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.315 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mmm -83.21 -21.65 33.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.106 -0.996 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 52' ' ' ALA . 5.1 pt-20 -141.28 169.82 16.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.153 -0.967 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.296 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.266 0.555 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.39 133.48 7.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.84 -38.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.333 -0.854 . . . . 0.0 110.105 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -67.77 170.86 7.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -0.908 . . . . 0.0 110.088 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.79 45.83 1.87 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.53 57.51 1.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 0.0 110.216 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -125.74 24.51 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.8 p -105.4 -162.04 0.85 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 110.224 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 30.9 p-10 -58.7 80.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.2 tt0 -61.54 -11.05 9.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.463 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.9 mm -51.64 -39.27 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 110.242 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 35' ' ' PHE . 35.2 m -47.32 -40.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.923 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.99 -29.12 63.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -0.902 . . . . 0.0 110.064 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.06 -32.61 65.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.122 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.424 HD11 ' OG ' ' A' ' 39' ' ' SER . 11.9 mt -70.03 -18.87 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.208 -0.932 . . . . 0.0 110.146 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -46.31 90.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.291 -0.88 . . . . 0.0 110.163 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.1 -24.01 62.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.18 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 21.8 mm -69.66 -49.8 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.191 -0.943 . . . . 0.0 110.177 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' CG2' HG13 ' A' ' 38' ' ' ILE . 6.0 t -70.11 -55.59 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -44.87 -30.53 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 110.161 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 ttt-85 -49.75 -45.86 49.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 2.8 mmt180 -46.45 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.063 -1.023 . . . . 0.0 109.888 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 24.3 ttm-85 -58.94 -37.38 76.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.798 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 22' ' ' ARG . . . -45.01 -39.68 5.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 109.712 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.504 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.3 pt-20 -82.98 -21.18 34.02 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 124.1 29.79 1.08 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.83 -165.43 0.63 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -1.169 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -163.46 -168.72 1.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.126 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 60.85 136.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.196 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -85.15 16.08 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 0.0 110.343 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -30.46 46.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG22 ' CG1' ' A' ' 20' ' ' VAL . 11.1 p -96.59 153.59 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 155.41 8.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 110.136 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.456 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 6.7 t80 -48.09 -48.87 33.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.893 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -65.22 -38.04 89.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.279 -0.888 . . . . 0.0 110.302 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -67.2 -46.17 74.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 110.421 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.499 HG13 ' CG2' ' A' ' 20' ' ' VAL . 34.0 mm -68.93 -27.55 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.9 . . . . 0.0 110.299 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.424 ' OG ' HD11 ' A' ' 16' ' ' ILE . 28.0 m -74.46 -61.63 1.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 41' ' ' MET . 6.5 t -50.17 -44.61 52.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.385 -0.822 . . . . 0.0 110.832 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.527 ' N ' ' CG2' ' A' ' 40' ' ' THR . 2.8 ptt? -62.57 -31.19 71.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.024 -1.048 . . . . 0.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' CD2' ' HB3' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -68.03 -62.59 1.33 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.76 -38.54 91.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 40' ' ' THR . 3.2 mm-40 -56.44 -27.2 56.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.173 -0.954 . . . . 0.0 109.001 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.522 ' O ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.53 -11.09 20.4 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 78.74 30.16 49.26 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 42' ' ' LEU . 1.0 OUTLIER 36.87 28.65 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.625 -0.926 . . . . 0.0 111.031 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -74.53 -93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.49 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 23.4 m -44.9 -26.16 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.5 t80 -55.63 -55.68 29.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.073 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -40.16 80.03 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 110.555 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.73 96.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.326 -0.858 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 10.1 mm-40 -45.12 -58.4 3.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -92.2 -8.99 43.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 53.63 -177.54 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 0.0 110.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.151 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.287 0.565 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -105.49 86.2 2.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 110.176 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 4' ' ' VAL . 2.4 p -132.98 82.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.279 -0.888 . . . . 0.0 110.218 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 4' ' ' VAL . 4.3 mm100 -56.14 -165.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 177.76 91.37 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.195 -0.941 . . . . 0.0 110.154 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.92 51.5 2.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.884 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -132.23 100.27 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -117.74 94.72 4.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.64 77.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.9 pt-20 -54.77 -28.27 47.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.3 mm -55.22 -50.23 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.251 -0.905 . . . . 0.0 110.262 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' ILE . 48.9 t -41.55 -48.6 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.425 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.06 -38.85 69.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.218 -0.926 . . . . 0.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 23.3 ttpp -53.33 -30.89 41.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.231 -0.918 . . . . 0.0 110.451 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.48 ' HB ' ' CE1' ' A' ' 35' ' ' PHE . 6.5 mt -79.99 -40.47 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 0.0 110.089 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.78 -46.4 50.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 10.4 pttt -74.97 -23.39 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.455 HD12 ' HG2' ' A' ' 15' ' ' LYS . 46.5 mt -77.6 -35.13 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 38' ' ' ILE . 15.1 t -63.19 -48.98 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.66 -45.59 6.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 110.358 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 1.5 mpt_? -43.65 -44.08 6.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.284 -0.885 . . . . 0.0 110.277 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HG2' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -43.16 -58.78 2.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 110.258 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -72.88 -35.63 67.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.139 -0.976 . . . . 0.0 109.843 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.43 -30.01 27.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.173 -0.954 . . . . 0.0 109.639 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.511 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.2 pt-20 -92.19 -21.56 20.3 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.511 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 115.71 54.73 0.36 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -50.91 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -1.152 . . . . 0.0 110.239 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.94 -43.9 0.47 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.63 149.61 21.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.5 m -76.76 2.49 14.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.933 . . . . 0.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.76 -15.31 7.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.501 ' CG2' ' HG2' ' A' ' 23' ' ' ARG . 25.3 t -55.54 141.09 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -0.901 . . . . 0.0 110.477 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 t 170.05 139.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.48 ' CE1' ' HB ' ' A' ' 16' ' ' ILE . 1.3 t80 -42.66 -45.13 4.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.12 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 39' ' ' SER . 49.2 m -67.04 -31.74 72.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.903 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' SER . 7.5 t -72.92 -54.35 8.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.277 -0.89 . . . . 0.0 109.88 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 20' ' ' VAL . 31.4 mm -61.44 -24.96 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.867 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 40' ' ' THR . 82.6 p -75.01 -63.35 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 41' ' ' MET . 7.1 t -50.07 -45.34 52.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.74 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -63.75 -33.24 75.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.974 -1.079 . . . . 0.0 110.24 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 47' ' ' LEU . 6.9 tp -68.85 -47.54 65.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -20.83 6.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -67.5 -29.83 69.36 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD22 ' CG1' ' A' ' 49' ' ' VAL . 1.3 mt -101.13 -11.31 19.68 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.29 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 59.12 32.36 71.18 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 68.82 -47.95 0.57 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.278 -1.13 . . . . 0.0 111.264 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -44.88 -71.94 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.891 -1.131 . . . . 0.0 110.752 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' CG1' HD22 ' A' ' 45' ' ' LEU . 21.5 t -54.41 -36.76 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.118 -0.989 . . . . 0.0 110.078 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 6.3 t80 -62.35 -45.12 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.954 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 54' ' ' MET . 0.4 OUTLIER -65.84 -22.75 66.56 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.336 -0.853 . . . . 0.0 110.503 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.44 84.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.931 . . . . 0.0 110.154 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 3.0 pt20 -82.9 6.52 18.21 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -90.95 -72.29 0.59 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -0.933 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.11 165.54 17.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.197 -0.94 . . . . 0.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.256 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.276 0.56 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -93.03 98.37 11.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . 7.1 p -94.62 72.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.228 -0.92 . . . . 0.0 110.204 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -172.54 2.05 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.202 -0.937 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.62 78.48 0.63 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 49.27 62.49 2.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.243 -0.911 . . . . 0.0 110.211 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -110.34 -3.52 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLU . 80.6 p -73.8 146.52 44.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 0.0 110.173 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.2 m-20 -59.69 78.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.878 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -59.63 -27.15 66.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.309 -0.87 . . . . 0.0 110.252 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 16' ' ' ILE . 1.3 pt -57.18 -30.61 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 110.486 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 48.3 t -45.94 -25.22 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 110.118 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -54.76 8.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.87 . . . . 0.0 110.466 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.7 ptmt -73.96 -40.35 63.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.806 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.52 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 7.0 mt -68.03 -11.79 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.948 -1.095 . . . . 0.0 110.133 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.03 75.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.298 -0.876 . . . . 0.0 110.295 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -74.32 -23.84 59.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.897 . . . . 0.0 110.232 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.515 HG22 ' CG2' ' A' ' 38' ' ' ILE . 25.2 mm -60.38 -47.96 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.52 HG11 ' CG1' ' A' ' 33' ' ' VAL . 25.0 t -60.2 -72.54 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.088 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' VAL . 2.0 mt-10 -41.37 -44.07 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.485 -0.76 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' ARG . 21.3 ttt180 -52.18 -46.58 65.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.954 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' O ' ' HB1' ' A' ' 28' ' ' ALA . 4.9 mtt180 -43.78 -54.67 4.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.9 ttm180 -65.85 -53.59 37.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.82 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -27.67 1.05 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.102 -0.999 . . . . 0.0 108.974 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.17 -21.02 27.76 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.589 -0.694 . . . . 0.0 110.233 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.66 -26.74 2.51 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' ARG . . . -45.1 145.47 1.03 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.155 -1.203 . . . . 0.0 109.993 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -142.76 -161.04 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 110.448 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 29' ' ' LYS . 2.2 p 59.57 168.43 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 0.0 110.255 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.86 38.37 0.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -94.43 -18.0 21.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -0.931 . . . . 0.0 110.04 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.52 ' CG1' HG11 ' A' ' 20' ' ' VAL . 23.2 t -93.25 140.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 12.1 t 174.32 148.91 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.517 -0.739 . . . . 0.0 109.644 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' N ' HG23 ' A' ' 20' ' ' VAL . 6.4 t80 -45.05 -56.83 4.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.01 -1.057 . . . . 0.0 109.799 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -35.13 16.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.905 . . . . 0.0 109.872 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -79.96 -50.33 10.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.442 -0.786 . . . . 0.0 110.01 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.519 HG13 ' CG2' ' A' ' 20' ' ' VAL . 14.6 mm -64.09 -31.29 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 109.983 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 2.5 p -74.52 -47.7 31.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 109.981 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -50.27 -54.39 21.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.266 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.52 -30.46 69.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.35 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' SD ' ' A' ' 41' ' ' MET . 1.5 mt -68.54 -51.16 45.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -45.23 69.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 111.053 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 45' ' ' LEU . 9.0 pt-20 -53.1 -24.16 9.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.042 -1.036 . . . . 0.0 108.777 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.38 -19.05 16.46 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' LEU . . . 83.01 17.03 68.29 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 7.3 tp 53.33 18.28 1.26 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -1.196 . . . . 0.0 110.317 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 5.0 ttm180 -74.22 -93.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.118 -0.989 . . . . 0.0 110.889 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' CG2' HD11 ' A' ' 45' ' ' LEU . 10.2 m -41.0 -35.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.559 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 13.4 t80 -54.28 -58.26 8.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.371 -0.831 . . . . 0.0 110.271 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -27.28 69.09 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.081 -1.012 . . . . 0.0 110.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.03 -51.42 21.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -120.88 49.63 1.45 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 110.237 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' GLU . 3.7 ptt? -66.63 -27.11 67.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 54' ' ' MET . 36.9 mt-10 44.66 -170.44 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.908 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.279 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.228 0.537 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt 55.39 -178.36 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 5' ' ' GLN . 6.2 t 58.2 72.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 110.31 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' VAL . 54.4 mt-30 52.48 175.04 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.226 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.85 86.1 2.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 110.2 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.439 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 48.48 80.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 0.0 110.207 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 7' ' ' TYR . 9.8 p -176.53 42.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.186 -0.947 . . . . 0.0 110.211 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.4 m -109.02 -163.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.32 79.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.233 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -63.51 -10.02 15.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.32 -0.862 . . . . 0.0 110.261 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.7 mm -51.56 -46.74 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.131 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -45.09 -42.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 110.108 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -72.26 -38.05 68.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -30.9 67.84 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.428 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 12' ' ' ILE . 8.6 mt -76.36 -38.37 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.198 -0.939 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -49.4 -35.47 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.157 -0.964 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -75.18 -22.29 58.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.0 110.262 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 31.2 mm -69.64 -51.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.149 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG22 ' CG2' ' A' ' 38' ' ' ILE . 12.7 t -63.27 -45.44 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.103 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.23 -36.24 79.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.0 110.508 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 4.5 mtt180 -42.86 -48.12 5.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.165 -0.959 . . . . 0.0 110.256 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.54 -48.04 7.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.348 -0.845 . . . . 0.0 109.615 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HA ' ' N ' ' A' ' 28' ' ' ALA . 1.1 mtp180 -73.64 -47.09 42.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.278 -0.889 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -14.77 7.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.33 -0.856 . . . . 0.0 109.772 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -122.2 -1.43 9.23 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.315 -0.866 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 140.74 63.11 0.03 OUTLIER Glycine 0 N--CA 1.492 2.418 0 C-N-CA 119.377 -1.392 . . . . 0.0 109.913 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.541 ' N ' ' HA ' ' A' ' 24' ' ' ARG . . . -41.85 139.81 1.16 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -1.121 . . . . 0.0 110.659 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.8 tmtt? -179.59 -62.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.231 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 p -106.68 40.01 1.72 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.43 -0.794 . . . . 0.0 109.201 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.482 ' HB ' ' HB3' ' A' ' 23' ' ' ARG . 8.6 t -102.28 12.72 36.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.643 -0.661 . . . . 0.0 110.127 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 5.5 t0 -46.57 -24.53 0.54 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.359 -0.838 . . . . 0.0 109.837 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 32' ' ' ASP . 6.4 m -57.28 -157.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.157 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -169.18 -158.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.385 -0.822 . . . . 0.0 110.205 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 39' ' ' SER . 1.0 OUTLIER -66.84 -69.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 110.094 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -33.7 2.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.165 -0.959 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.4 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -72.72 -63.74 1.1 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.293 -0.879 . . . . 0.0 110.013 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.529 ' CG2' HG22 ' A' ' 20' ' ' VAL . 17.2 mm -67.07 -7.79 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 110.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -69.5 -69.8 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 110.354 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 HG22 ' HG2' ' A' ' 44' ' ' GLU . 4.6 m -41.89 -30.51 0.26 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.35 -0.844 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.408 ' O ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -48.55 -64.71 0.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.318 -0.864 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -53.38 -55.85 21.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.913 . . . . 0.0 110.348 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.69 -39.01 64.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.199 -0.938 . . . . 0.0 110.332 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HG2' HG22 ' A' ' 40' ' ' THR . 19.0 mm-40 -61.69 -20.58 63.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.0 108.711 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD22 ' HB ' ' A' ' 49' ' ' VAL . 1.3 mp -100.44 -5.29 27.34 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.308 0.575 . . . . 0.0 109.795 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 76.2 6.71 83.75 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.1 mt 77.12 -15.27 0.76 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.757 -0.849 . . . . 0.0 111.031 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -74.78 -79.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.894 -1.129 . . . . 0.0 110.109 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' HB ' HD22 ' A' ' 45' ' ' LEU . 24.9 t -44.8 -37.51 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.872 . . . . 0.0 110.09 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 42' ' ' LEU . 7.5 t80 -43.38 -58.7 2.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 110.125 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -62.9 -30.51 71.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.218 -0.926 . . . . 0.0 110.626 -179.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.98 68.07 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.254 -0.904 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -51.81 -46.84 64.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.361 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 49.95 28.93 3.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.53 165.72 24.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.152 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 tttm 63.39 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.34 -0.85 . . . . 0.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 5' ' ' GLN . 12.5 m -107.26 1.94 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.317 -0.864 . . . . 0.0 110.127 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.3 mt-30 55.41 165.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 0.0 110.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 10' ' ' ASP . . . -177.58 54.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.211 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' SER . 69.5 m-85 52.26 104.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 110.44 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 7' ' ' TYR . 4.5 t 63.75 -70.42 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.347 -0.846 . . . . 0.0 110.554 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -172.87 130.44 0.51 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.177 -0.952 . . . . 0.0 110.321 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 12.4 t0 -73.71 -68.85 0.47 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.312 -0.868 . . . . 0.0 110.479 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.2 80.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.795 . . . . 0.0 110.337 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.48 -25.84 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.165 -0.959 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' ASN . 34.3 m -71.74 -28.63 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.78 -52.12 19.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -52.39 58.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.421 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.8 mm -60.46 -37.64 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . 2.9 m-20 -46.0 -23.48 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 110.673 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -74.6 -63.69 1.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 0.0 110.144 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 50' ' ' TYR . 2.0 mp -48.78 -52.4 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.164 -0.96 . . . . 0.0 109.752 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.556 ' CG2' ' HA ' ' A' ' 17' ' ' ASN . 1.2 m -52.46 -66.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.12 -0.987 . . . . 0.0 110.497 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' H ' ' CG2' ' A' ' 20' ' ' VAL . 4.7 tp10 -50.27 -43.97 53.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.279 -0.888 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -47.4 -51.49 19.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 0.0 110.248 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 20.5 mmm180 -48.21 -54.42 13.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.179 -0.951 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -73.27 -39.18 65.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.0 109.59 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -37.76 7.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.271 -0.893 . . . . 0.0 109.311 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -80.48 -20.74 43.02 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 110.208 179.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.537 ' N ' ' HG3' ' A' ' 26' ' ' GLU . . . 118.25 35.09 1.05 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -66.29 -176.45 0.43 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.134 -1.215 . . . . 0.0 110.041 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 30' ' ' SER . 2.8 pttt -160.47 -162.28 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.198 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 62.16 146.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -84.51 13.19 5.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -22.11 60.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.1 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.54 140.08 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 1.8 p -176.91 145.12 0.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' SER . 39.5 t80 -43.05 -36.96 1.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -44.11 42.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 109.997 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -62.65 -53.1 59.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.2 mm -55.09 -37.51 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.328 -0.857 . . . . 0.0 110.241 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 m -65.71 -33.55 76.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 109.42 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 6.9 m -50.93 -69.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.526 -0.734 . . . . 0.0 110.761 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.94 -34.87 43.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 110.4 -179.438 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.638 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -68.28 -62.51 1.36 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.724 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 0.81 8.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.991 -1.068 . . . . 0.0 111.066 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 40' ' ' THR . 8.2 mt-10 -77.05 -38.1 53.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.862 -1.149 . . . . 0.0 108.203 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -101.29 -5.35 25.57 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.237 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.575 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 99.34 32.55 5.73 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.4 tt 40.99 25.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.094 -1.239 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' GLY . 4.9 ttp180 -75.0 -75.28 0.17 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.946 -1.096 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 50' ' ' TYR . 7.6 p -53.49 -38.96 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.116 -0.99 . . . . 0.0 110.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 8.1 t80 -47.52 -55.01 10.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 110.03 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -32.68 72.21 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.263 -0.898 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.31 -61.09 2.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' CG2' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -68.25 -26.09 65.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' TYR . 13.9 mtt 49.28 27.3 1.83 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.013 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 49.71 -174.7 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.206 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.343 0.592 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 78.13 1.24 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.24 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.17 155.23 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.329 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 49.3 mt-30 46.77 -165.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.0 110.224 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 174.82 117.93 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -0.962 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.417 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 49.0 p90 -46.17 152.17 0.43 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.912 . . . . 0.0 110.167 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 7' ' ' TYR . 53.9 t 53.93 80.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.212 -0.93 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -175.16 176.49 2.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 110.125 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.24 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.942 . . . . 0.0 110.279 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.8 pp20? -58.34 -15.38 10.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.259 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.5 pt -57.16 -20.95 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.0 110.214 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.572 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 4.8 p -50.65 -43.73 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.233 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -42.09 65.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 110.616 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -74.28 -46.37 41.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.222 -0.924 . . . . 0.0 110.897 -179.389 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 48.6 mt -59.9 -33.16 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 110.414 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -64.31 0.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.179 -0.95 . . . . 0.0 110.585 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -57.24 -23.11 45.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.202 -0.936 . . . . 0.0 110.478 -179.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 29.2 mm -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.567 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG22 ' CG2' ' A' ' 38' ' ' ILE . 18.3 t -54.33 -44.94 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.191 -0.943 . . . . 0.0 110.303 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 20.7 tt0 -59.75 -58.92 6.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.43 -0.794 . . . . 0.0 111.212 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.22 -50.96 4.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.102 -0.999 . . . . 0.0 110.671 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HG2' ' OG1' ' A' ' 31' ' ' THR . 0.2 OUTLIER -44.39 -71.52 0.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.976 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -65.89 -33.38 75.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.032 -1.042 . . . . 0.0 109.244 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -43.96 -35.84 2.21 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.899 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -87.99 -25.0 23.36 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.358 -0.839 . . . . 0.0 109.248 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 58.74 37.29 89.67 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -96.46 31.38 2.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.432 -1.04 . . . . 0.0 111.633 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 4.0 mttp 160.52 -162.76 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.679 -0.638 . . . . 0.0 110.02 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -90.0 38.48 0.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.83 . . . . 0.0 109.341 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.482 ' OG1' ' HG2' ' A' ' 23' ' ' ARG . 15.1 t -89.15 40.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.576 0.703 . . . . 0.0 109.551 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 24' ' ' ARG . 9.4 t70 -85.31 20.81 1.88 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.447 -0.783 . . . . 0.0 110.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG11 ' CG1' ' A' ' 38' ' ' ILE . 2.1 p -55.56 -158.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.492 -0.755 . . . . 0.0 110.216 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.473 ' HA ' HG13 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -158.74 -179.06 7.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.073 -1.017 . . . . 0.0 110.099 -179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 13' ' ' VAL . 15.8 t80 -62.78 -55.2 28.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.106 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -42.86 -41.83 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.95 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -80.04 -49.45 11.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.231 -0.918 . . . . 0.0 110.165 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.53 ' CG1' HG11 ' A' ' 33' ' ' VAL . 24.9 mm -67.22 -17.72 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 1.2 t -74.42 -69.81 0.43 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.17 -0.956 . . . . 0.0 110.477 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 37' ' ' SER . 7.2 t -41.19 -42.69 2.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.663 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 5.0 ptm -73.5 -26.67 61.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.412 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 41' ' ' MET . 0.4 OUTLIER -68.02 -52.77 31.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 110.622 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.18 88.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 110.47 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -28.48 67.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.06 -1.025 . . . . 0.0 109.002 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -100.59 5.68 44.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 58.05 25.84 57.4 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER 68.95 2.42 3.55 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.611 -0.935 . . . . 0.0 110.677 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.77 -15.85 60.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 110.442 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.536 ' CG2' ' N ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -43.94 -90.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.504 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 51' ' ' GLU . 7.8 p90 -59.52 -31.55 69.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.785 -1.197 . . . . 0.0 110.14 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.607 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -61.66 -20.35 63.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.193 -0.942 . . . . 0.0 110.404 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.36 -62.0 1.63 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.281 -0.887 . . . . 0.0 110.087 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 54' ' ' MET . 8.9 mm100 -59.97 -22.09 62.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.34 -0.85 . . . . 0.0 110.258 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 53' ' ' GLN . 3.0 mmm 56.79 42.73 26.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.858 . . . . 0.0 110.165 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -173.42 1.12 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -0.933 . . . . 0.0 110.077 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.223 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.277 0.56 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -168.17 115.51 0.7 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.95 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.77 120.77 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 110.245 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -110.03 27.16 9.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 110.159 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 5' ' ' GLN . . . 66.09 122.68 0.02 OUTLIER 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.391 0.615 . . . . 0.0 110.122 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 24.9 m-85 -58.86 120.51 9.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' CG2' ' C ' ' A' ' 7' ' ' TYR . 14.2 m 33.85 79.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.793 -0.567 . . . . 0.0 110.895 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLU . 3.2 t -102.97 146.62 28.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.33 -0.856 . . . . 0.0 110.124 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.13 77.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.298 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.7 tt0 -65.7 -15.68 63.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.256 -0.903 . . . . 0.0 110.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 12' ' ' ILE . 38.6 mt -66.18 -31.01 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.188 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 10' ' ' ASP . 6.1 p -45.03 -38.63 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -72.06 -40.59 68.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.317 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LYS . 38.0 mtpt -68.14 -41.43 81.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.238 -0.914 . . . . 0.0 110.256 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.5 HG12 ' CD1' ' A' ' 42' ' ' LEU . 44.1 mt -44.17 -46.6 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -20.87 61.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 110.433 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -75.17 -26.33 59.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.206 -0.934 . . . . 0.0 110.441 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 mt -76.94 -49.39 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 110.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' CA ' ' A' ' 34' ' ' SER . 11.8 t -58.91 -49.27 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 110.071 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.6 tt0 -59.55 -55.79 30.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 110.619 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.9 ttt-85 -48.25 -48.99 34.96 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.096 -1.002 . . . . 0.0 110.383 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HG2' ' CB ' ' A' ' 31' ' ' THR . 2.4 mpt_? -51.69 -68.63 0.15 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 110.178 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.461 ' HB2' ' HA ' ' A' ' 32' ' ' ASP . 39.6 ttp180 -64.69 -30.61 71.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 22' ' ' ARG . . . -45.95 -48.67 16.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.219 -0.926 . . . . 0.0 108.682 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.04 -18.59 49.72 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.368 -0.833 . . . . 0.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 62.59 26.24 68.14 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . -111.39 40.34 2.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.393 -1.063 . . . . 0.0 110.804 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 179.57 161.67 0.86 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.954 . . . . 0.0 110.549 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 m -87.84 40.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.277 -0.889 . . . . 0.0 109.889 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.521 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -105.87 44.16 1.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.398 -0.814 . . . . 0.0 109.518 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 33' ' ' VAL . 8.7 p-10 -82.92 12.79 4.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 110.166 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.524 HG23 ' CD1' ' A' ' 38' ' ' ILE . 21.1 m -57.0 -151.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.397 -0.814 . . . . 0.0 110.522 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.516 ' CA ' HG12 ' A' ' 20' ' ' VAL . 9.1 m -147.59 -154.46 0.55 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.35 -0.844 . . . . 0.0 110.094 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' O ' ' CB ' ' A' ' 39' ' ' SER . 34.1 t80 -71.45 -64.18 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.4 t -39.6 -40.39 0.88 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.0 m -72.59 -76.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.151 -0.968 . . . . 0.0 110.11 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.524 ' CD1' HG23 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.68 -34.32 16.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 31.2 t -55.95 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 110.25 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 24.4 m -41.96 -44.36 3.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.387 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.415 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -46.86 -58.27 4.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.295 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CD1' HG12 ' A' ' 16' ' ' ILE . 12.8 mt -47.18 -61.52 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.499 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -41.71 90.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.865 . . . . 0.0 110.646 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -60.81 -19.09 58.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.939 -1.101 . . . . 0.0 108.93 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD21 ' HB ' ' A' ' 49' ' ' VAL . 0.4 OUTLIER -100.32 -4.8 28.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.772 -0.58 . . . . 0.0 109.943 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 77.77 10.74 86.03 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.6 tp 77.9 -36.89 0.22 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.55 -0.971 . . . . 0.0 111.215 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.2 tmm_? -73.85 -65.56 0.82 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.831 -1.168 . . . . 0.0 110.355 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' HB ' HD21 ' A' ' 45' ' ' LEU . 24.6 t -42.06 -29.27 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.339 -0.851 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE2' ' HE1' ' A' ' 54' ' ' MET . 15.6 t80 -45.06 -59.87 2.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.36 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -15.73 5.31 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.314 -0.866 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -78.48 -9.41 59.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.94 . . . . 0.0 110.521 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 8.7 pt20 -89.79 1.47 56.1 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.163 -0.961 . . . . 0.0 110.504 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.484 ' HE1' ' CE2' ' A' ' 50' ' ' TYR . 30.9 mtt -104.2 28.55 6.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 110.507 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -123.47 161.69 24.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.145 -0.972 . . . . 0.0 110.197 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.231 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.276 0.56 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -42.96 -26.79 0.15 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.209 -0.932 . . . . 0.0 110.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 12' ' ' ILE . 14.5 mm -51.93 -21.05 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 14' ' ' TYR . 11.4 p -46.7 -40.59 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.039 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 11.3 t80 -69.45 -28.99 66.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -50.41 47.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.317 -0.864 . . . . 0.0 110.09 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 42' ' ' LEU . 17.5 mt -66.2 -33.9 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 0.0 110.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.05 -37.77 77.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 110.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 40.6 mtpt -68.28 -36.83 79.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 110.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.495 HG13 ' OH ' ' A' ' 50' ' ' TYR . 24.3 mm -63.86 -58.7 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 110.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.798 HG22 ' CG1' ' A' ' 38' ' ' ILE . 21.8 t -47.03 -53.5 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.958 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -46.73 70.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -50.31 -27.21 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.888 . . . . 0.0 110.091 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.1 mmm-85 -61.46 -57.98 10.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.094 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 mpp_? -68.93 -48.15 63.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.84 -34.45 1.61 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.427 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.23 -28.09 29.47 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.424 -0.798 . . . . 0.0 109.933 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 121.92 27.5 1.71 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -50.54 173.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -1.127 . . . . 0.0 110.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.56 172.46 12.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.63 146.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t -89.2 32.42 0.84 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 0.0 110.223 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.5 -22.55 30.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.91 139.54 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 37' ' ' SER . 0.6 OUTLIER -175.69 151.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.169 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.585 ' HA ' HG21 ' A' ' 20' ' ' VAL . 84.2 t80 -43.39 -66.4 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.296 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -49.62 -40.06 37.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 34' ' ' SER . 15.1 m -62.84 -57.7 9.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.798 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.0 mm -62.61 -19.91 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.267 -0.896 . . . . 0.0 110.4 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -74.05 -52.7 11.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -48.98 -51.37 30.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 3.5 ptm -57.87 -29.54 65.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.901 . . . . 0.0 110.187 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -68.49 -46.35 69.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.928 . . . . 0.0 110.391 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.15 -27.33 13.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -0.902 . . . . 0.0 110.614 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -63.32 -31.0 72.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -97.03 0.25 48.39 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.208 0.528 . . . . 0.0 109.776 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.43 42.22 25.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 50' ' ' TYR . 10.9 tp 47.37 22.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.8 tpm_? -74.68 -120.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.924 . . . . 0.0 110.254 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.595 ' CG2' HD23 ' A' ' 45' ' ' LEU . 16.9 m -41.15 -27.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.147 -0.971 . . . . 0.0 110.123 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 1.008 ' CD2' HD21 ' A' ' 42' ' ' LEU . 29.2 t80 -55.93 -38.78 70.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.867 . . . . 0.0 109.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.589 ' HB2' HG23 ' A' ' 13' ' ' VAL . 24.3 p30 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.196 0.522 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.93 73.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.166 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 16' ' ' ILE . 13.9 mm -57.54 -45.31 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.161 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.589 HG23 ' HB2' ' A' ' 10' ' ' ASP . 38.6 t -43.15 -53.18 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -72.01 -25.42 61.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -33.8 68.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.212 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 42' ' ' LEU . 22.8 mm -73.36 -45.03 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.157 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 3.8 m120 -45.59 -31.33 1.82 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -63.47 -54.22 39.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.79 -38.34 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.855 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.869 HG22 HG13 ' A' ' 38' ' ' ILE . 21.9 t -69.51 -60.83 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 3.3 mt-10 -43.94 -31.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.219 -0.926 . . . . 0.0 110.244 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -38.75 55.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.258 -0.901 . . . . 0.0 110.15 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.814 ' HG3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -53.71 -71.23 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.083 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.77 -46.01 85.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.979 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -45.07 -36.86 3.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.067 -1.02 . . . . 0.0 109.313 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -29.99 34.88 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.41 -0.807 . . . . 0.0 110.025 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.89 34.5 0.47 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.52 -170.1 1.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.18 -1.188 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.275 -0.89 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -56.39 149.83 16.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 110.15 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 31' ' ' THR . 96.4 m -82.22 10.08 7.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.323 -0.861 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.27 2.11 16.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.845 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' A' ' 23' ' ' ARG . 40.2 t -121.92 149.67 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 110.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.13 151.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 0.0 110.183 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' HA ' HG21 ' A' ' 20' ' ' VAL . 26.5 t80 -47.72 -58.67 4.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.179 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -32.73 68.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 110.343 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.5 t -67.8 -55.42 13.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.869 HG13 HG22 ' A' ' 20' ' ' VAL . 15.2 mm -64.12 -50.8 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 110.332 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.537 ' CB ' HG21 ' A' ' 16' ' ' ILE . 2.1 p -55.48 -53.74 52.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.221 -0.924 . . . . 0.0 110.427 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 6.1 m -48.96 -56.32 9.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 110.526 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.8 ptt? -66.34 -23.17 66.31 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.925 . . . . 0.0 110.494 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.26 -53.36 25.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 110.558 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD23 ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.19 -44.4 92.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.0 110.607 -179.683 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -57.76 -21.36 41.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.129 -0.982 . . . . 0.0 109.066 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.063 HD13 HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -100.5 -7.15 24.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.676 -0.64 . . . . 0.0 110.037 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 68.74 33.01 74.86 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 73.24 -3.22 2.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.393 -1.063 . . . . 0.0 110.778 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -75.08 1.78 12.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.065 -1.022 . . . . 0.0 110.369 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.063 HG12 HD13 ' A' ' 45' ' ' LEU . 10.8 m -56.21 -113.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.207 -0.933 . . . . 0.0 110.512 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 49' ' ' VAL . 11.2 p90 -40.74 -28.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.07 -1.019 . . . . 0.0 110.444 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 110.26 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.224 0.535 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -6.05 36.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.273 -0.892 . . . . 0.0 110.338 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 1.4 pt -64.78 -15.51 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 41.8 t -60.35 -66.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.198 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -31.31 71.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.31 -0.869 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -54.8 7.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.248 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.9 mm -61.43 -45.5 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 110.119 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.2 -41.72 18.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.342 -0.848 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -58.07 -36.64 73.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.916 . . . . 0.0 110.264 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 38.5 mm -70.74 -47.34 64.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.89 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 38' ' ' ILE . 9.6 t -60.34 -46.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' OE2' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -51.67 -57.77 8.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.186 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -44.76 -46.77 10.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.098 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HB2' HG11 ' A' ' 33' ' ' VAL . 9.0 mmt180 -52.55 -67.08 0.28 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.917 . . . . 0.0 110.2 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -60.37 -44.63 95.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 110.175 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . . . -43.68 -43.45 5.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.11 -20.09 26.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.399 -0.813 . . . . 0.0 110.167 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 34.53 59.42 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -97.01 40.22 1.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.092 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER 177.37 32.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 0.0 109.91 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.36 -170.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 110.038 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -88.17 23.08 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.127 -0.983 . . . . 0.0 110.152 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -20.25 38.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.667 HG11 ' HB2' ' A' ' 23' ' ' ARG . 42.0 t -65.75 151.46 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.162 -0.961 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 179.09 148.05 0.21 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 110.162 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 20' ' ' VAL . 35.4 t80 -42.91 -61.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 40' ' ' THR . 60.1 p -46.91 -34.64 5.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.272 -0.893 . . . . 0.0 110.306 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -80.03 -42.88 22.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.277 -0.889 . . . . 0.0 110.261 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.927 HG13 HG22 ' A' ' 20' ' ' VAL . 27.4 mm -74.13 -37.63 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.133 -0.979 . . . . 0.0 110.134 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 t -74.42 -48.73 25.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.309 -0.869 . . . . 0.0 110.122 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.3 m -50.22 -47.9 54.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.365 -0.835 . . . . 0.0 110.639 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.69 -32.64 64.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 110.317 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.093 HD21 ' CD1' ' A' ' 47' ' ' LEU . 6.1 tt -66.74 -50.76 61.71 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -7.38 44.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.064 -1.023 . . . . 0.0 110.613 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -33.02 56.92 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.7 OUTLIER -101.76 -3.49 28.01 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.882 179.16 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.01 28.76 55.84 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.093 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.5 OUTLIER 50.69 14.73 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.129 -1.218 . . . . 0.0 111.651 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -73.27 0.27 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.719 -1.238 . . . . 0.0 110.616 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' A' ' 45' ' ' LEU . 21.5 t -49.92 -34.22 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 36.9 t80 -44.65 -50.79 9.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 110.176 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.155 -0.966 . . . . 0.0 110.477 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -70.85 -10.47 59.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 47' ' ' LEU . 6.4 mt -61.8 -26.55 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.197 -0.939 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.8 t -45.34 -50.97 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.203 -0.936 . . . . 0.0 110.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 3.0 t80 -69.49 -24.71 63.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 110.198 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -69.46 -54.88 12.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.368 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 39' ' ' SER . 54.5 mt -75.34 -25.01 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.289 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -65.0 -38.2 90.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 14' ' ' TYR . 12.6 mtpt -67.5 -37.3 82.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.177 -0.952 . . . . 0.0 110.067 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 50' ' ' TYR . 19.3 mt -53.96 -44.61 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.935 HG22 HG13 ' A' ' 38' ' ' ILE . 4.3 t -68.62 -49.45 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.165 -0.959 . . . . 0.0 110.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.28 -29.39 70.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.7 ttm-85 -44.4 -55.65 4.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 110.475 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.17 -45.0 5.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 0.0 110.03 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.689 ' HG3' ' HB2' ' A' ' 28' ' ' ALA . 21.4 ttm-85 -70.27 -58.14 4.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.932 . . . . 0.0 109.892 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -47.26 -24.11 0.67 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.155 -0.966 . . . . 0.0 109.007 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.98 -16.35 26.66 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.478 -0.764 . . . . 0.0 110.346 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.64 56.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 24' ' ' ARG . . . -36.05 144.54 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.674 -0.898 . . . . 0.0 111.033 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.7 ttmt 179.74 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.39 34.52 4.85 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 121.817 0.818 . . . . 0.0 108.895 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 23' ' ' ARG . 6.0 t -105.02 39.9 1.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.495 0.664 . . . . 0.0 109.767 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -51.12 -19.69 1.22 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.963 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 38' ' ' ILE . 41.9 t -45.8 173.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HG11 ' A' ' 20' ' ' VAL . 89.4 p -157.65 -175.83 5.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.793 -1.192 . . . . 0.0 110.757 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HG21 ' A' ' 20' ' ' VAL . 9.3 t80 -60.13 -62.34 1.94 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 110.189 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.7 m -42.08 -40.87 2.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -39.71 28.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.367 -0.833 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.935 HG13 HG22 ' A' ' 20' ' ' VAL . 26.4 mm -75.87 -25.68 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.0 110.654 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.437 ' HA ' HG21 ' A' ' 16' ' ' ILE . 8.4 t -74.28 -62.83 1.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -50.02 -20.11 0.88 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.903 . . . . 0.0 111.011 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 1.4 ptt? -68.62 -48.75 63.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.95 -1.094 . . . . 0.0 110.409 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD11 ' HA ' ' A' ' 47' ' ' LEU . 13.5 tp -69.05 -39.86 78.88 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.12 -0.988 . . . . 0.0 109.886 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.6 -23.27 0.63 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.241 -0.912 . . . . 0.0 110.243 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -66.76 -31.91 72.86 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.823 HD22 HG21 ' A' ' 49' ' ' VAL . 12.2 mt -90.09 -13.81 35.06 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.224 0.535 . . . . 0.0 109.749 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 98.19 1.22 58.24 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER 77.17 -18.99 0.45 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -1.106 . . . . 0.0 111.422 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 12.7 ptt180 -74.57 -43.38 55.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.795 -1.191 . . . . 0.0 110.503 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 HD22 ' A' ' 45' ' ' LEU . 95.2 t -53.28 -71.47 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.199 -0.938 . . . . 0.0 110.382 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CE2' HD11 ' A' ' 19' ' ' ILE . 12.2 t80 -43.02 -57.43 2.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.305 -1.336 0 O-C-N 121.296 -0.878 . . . . 0.0 110.477 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 p30 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.484 0.659 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 14' ' ' TYR . 13.9 tp10 -47.83 -21.28 0.39 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.688 -0.633 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 16' ' ' ILE . 15.1 mm -51.45 -21.22 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 110.075 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 45.9 t -56.79 -65.81 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.91 . . . . 0.0 110.01 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 18.5 t80 -55.78 -22.01 22.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.99 -43.21 79.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 39' ' ' SER . 10.7 mt -75.37 -11.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.04 -47.49 51.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.187 -0.946 . . . . 0.0 110.156 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -29.45 3.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 110.066 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.423 HD11 ' OH ' ' A' ' 50' ' ' TYR . 12.9 mm -76.11 -45.67 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.938 HG22 HG13 ' A' ' 38' ' ' ILE . 3.8 t -70.5 -51.21 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.912 . . . . 0.0 110.01 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.31 -44.15 5.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -43.18 -54.31 4.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.055 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -47.23 18.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.272 -0.892 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.1 ttm180 -71.56 -55.34 8.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.75 -30.31 0.63 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.263 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.4 27.59 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.736 . . . . 0.0 109.973 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 124.94 41.68 0.36 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.94 174.96 7.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.152 -1.205 . . . . 0.0 110.063 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -173.89 -35.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 110.382 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 8.5 t -43.44 155.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.54 39.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.205 -0.934 . . . . 0.0 110.253 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.73 -30.22 11.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 110.116 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 20' ' ' VAL . 7.7 p -106.66 138.98 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.294 -0.879 . . . . 0.0 110.212 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 15.9 m -163.95 145.43 8.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.0 110.206 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.7 ' HA ' HG21 ' A' ' 20' ' ' VAL . 44.2 t80 -43.3 -43.71 5.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.169 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -66.89 -32.88 74.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.9 -44.12 27.97 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.415 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.938 HG13 HG22 ' A' ' 20' ' ' VAL . 29.2 mm -70.12 -22.75 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.135 -0.978 . . . . 0.0 110.303 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -74.81 -55.22 6.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 110.495 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.7 m -50.1 -33.94 20.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 0.0 111.028 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -62.9 -28.99 70.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.033 -1.042 . . . . 0.0 110.482 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.858 HD22 HD23 ' A' ' 47' ' ' LEU . 5.2 mt -68.86 -60.05 2.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -40.3 64.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 110.084 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.15 -23.12 63.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.124 -0.985 . . . . 0.0 108.556 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.45 -6.0 26.25 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.686 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 73.93 7.31 75.56 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD22 ' A' ' 42' ' ' LEU . 12.7 mt 73.58 -24.7 0.2 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.635 -0.92 . . . . 0.0 111.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.5 tpt180 -74.22 -69.17 0.46 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 110.385 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.866 ' HB ' HD23 ' A' ' 45' ' ' LEU . 61.4 t -41.63 -27.62 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 14.0 t80 -64.28 -50.71 66.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 110.255 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.308 -0.87 . . . . 0.0 110.2 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.242 0.544 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 3.2 pt-20 -51.72 -21.08 2.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.239 -0.913 . . . . 0.0 110.392 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.7 mm -52.42 -57.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.298 -0.876 . . . . 0.0 110.263 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ILE . 91.2 t -43.34 -54.5 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.236 -0.915 . . . . 0.0 110.45 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.52 -23.86 64.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.218 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.39 -51.59 55.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 110.39 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.838 HG12 HD22 ' A' ' 42' ' ' LEU . 7.0 mt -63.6 -18.07 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.94 -48.04 48.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 110.409 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 1.9 ptmt -62.59 -26.01 68.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 0.0 110.283 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.611 HD13 HD11 ' A' ' 42' ' ' LEU . 56.1 mt -79.46 -50.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG13 ' A' ' 38' ' ' ILE . 14.8 t -67.2 -46.63 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.136 -0.978 . . . . 0.0 110.163 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.76 -40.53 2.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.296 -0.878 . . . . 0.0 110.19 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 7.0 mtp180 -44.78 -41.39 6.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 109.957 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 1.022 ' HB2' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.74 -51.45 16.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -70.39 -49.96 43.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.813 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.3 -33.73 1.7 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.315 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -82.61 -28.32 30.88 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.529 -0.732 . . . . 0.0 109.958 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 97.01 20.73 22.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . . . -49.7 174.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -1.163 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -144.56 9.93 1.4 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.195 -0.941 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -111.35 134.29 53.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.195 -0.941 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -3.1 14.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.66 -31.22 6.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.937 . . . . 0.0 110.114 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HB2' ' A' ' 23' ' ' ARG . 41.3 t -99.04 140.8 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 110.22 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 6.4 t -176.27 157.81 1.81 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 110.224 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 20' ' ' VAL . 19.7 t80 -49.33 -61.91 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.156 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -52.64 -33.37 46.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -0.93 . . . . 0.0 110.257 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -72.75 -54.52 8.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 110.215 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.015 HG13 HG22 ' A' ' 20' ' ' VAL . 12.3 mm -59.79 -46.32 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.174 -0.954 . . . . 0.0 110.227 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -46.8 -44.26 19.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 110.099 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 51.9 m -50.05 -69.0 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 2.3 ptt? -52.48 -23.75 6.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.838 HD22 HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.73 -65.88 0.64 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 110.707 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.64 -27.62 65.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 0.0 111.016 -179.312 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' THR . 15.5 mt-10 -66.81 -36.66 82.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.877 -1.139 . . . . 0.0 108.078 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.24 8.15 42.66 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 59.85 25.11 61.12 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER 33.12 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 122.05 -0.677 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' GLY . 28.8 ttt180 -74.53 -15.84 60.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 0.0 110.752 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.67 HG23 ' CD2' ' A' ' 50' ' ' TYR . 3.5 m -52.83 -105.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.222 -0.924 . . . . 0.0 110.59 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.67 ' CD2' HG23 ' A' ' 49' ' ' VAL . 2.7 p90 -43.43 -33.59 1.1 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.826 -1.171 . . . . 0.0 111.012 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.008 -1.058 . . . . 0.0 110.667 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.831 ' O ' HG12 ' A' ' 13' ' ' VAL . 2.7 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.241 0.543 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -40.91 -31.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.491 -0.755 . . . . 0.0 110.434 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.85 -29.13 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 10' ' ' ASP . 3.1 p -45.48 -49.29 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.0 110.237 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.558 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -72.43 -32.18 66.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.143 -0.973 . . . . 0.0 110.015 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 18' ' ' LYS . 25.1 tttt -56.75 -48.79 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 110.245 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.018 HD13 HD13 ' A' ' 42' ' ' LEU . 46.9 mm -54.17 -46.51 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 81.6 m-20 -45.68 -53.66 9.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -43.8 -41.34 4.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.401 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.431 ' HB ' HG21 ' A' ' 38' ' ' ILE . 26.6 mm -78.09 -32.03 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 110.256 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' CB ' ' A' ' 38' ' ' ILE . 6.3 t -71.09 -48.28 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.241 -0.912 . . . . 0.0 110.19 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.19 -53.92 43.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.2 -49.73 16.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.101 -1.0 . . . . 0.0 110.2 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.832 ' HB3' HG21 ' A' ' 33' ' ' VAL . 6.7 mmp_? -48.08 -71.64 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.264 -0.897 . . . . 0.0 110.188 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . 1.3 mtt-85 -60.58 -45.24 94.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 109.951 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.08 -39.21 4.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.299 -0.876 . . . . 0.0 109.793 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 3.7 mt-10 -91.45 -19.63 22.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.423 -0.798 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.35 40.76 47.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -107.11 44.52 1.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -1.172 . . . . 0.0 110.198 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER 169.96 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.818 . . . . 0.0 110.064 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -56.58 -160.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 110.02 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.5 p -72.41 52.21 0.27 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.7 -29.12 11.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.138 -0.976 . . . . 0.0 110.063 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.832 HG21 ' HB3' ' A' ' 23' ' ' ARG . 92.3 t -71.12 158.44 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.837 . . . . 0.0 110.307 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER 170.81 146.25 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.954 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 40.7 t80 -44.77 -52.63 8.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 110.111 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.7 t -65.08 -28.4 69.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 110.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.3 t -80.1 -52.97 7.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 110.453 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.838 ' CB ' HG22 ' A' ' 20' ' ' VAL . 22.0 mm -67.24 -19.62 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.649 ' HA ' HD12 ' A' ' 16' ' ' ILE . 1.5 m -65.3 -66.57 0.53 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.08 -1.013 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.2 m -50.33 -38.06 39.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 110.459 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.26 -40.28 89.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 110.05 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.018 HD13 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -68.87 -31.26 70.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 110.213 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.25 -45.49 63.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.306 -0.871 . . . . 0.0 110.793 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.545 ' OE2' ' HA ' ' A' ' 41' ' ' MET . 5.6 pt-20 -54.17 -33.26 57.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 108.79 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -9.33 58.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.826 -0.546 . . . . 0.0 109.82 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 66.18 38.99 94.37 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.2 mt 41.47 40.84 1.4 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.187 -1.184 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -76.72 -77.71 0.14 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.365 -0.834 . . . . 0.0 112.339 -178.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 50' ' ' TYR . 55.2 t -39.42 -85.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.136 -0.978 . . . . 0.0 111.451 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.675 ' CE1' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -33.42 -29.43 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.867 -0.52 . . . . 0.0 111.655 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.86 -1.15 . . . . 0.0 110.783 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ILE . 9.8 p-10 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.147 0.499 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.4 60.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.417 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' ASP . 9.5 mm -88.32 -59.95 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 109.989 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 35.8 m -47.2 -31.4 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 23.1 t80 -71.52 -38.9 71.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -68.56 -32.93 73.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.0 110.106 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 20' ' ' VAL . 13.8 mt -70.96 -44.2 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 0.0 110.101 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -55.4 -35.39 65.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 10.1 mttm -73.53 -21.67 60.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.307 -0.871 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 16' ' ' ILE . 95.7 mt -83.6 -33.84 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.209 -0.932 . . . . 0.0 110.283 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.883 HG13 HG13 ' A' ' 38' ' ' ILE . 4.5 t -71.12 -48.71 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.349 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 11.3 pt-20 -55.37 -37.79 67.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.231 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 8.5 tpm_? -46.33 -32.39 3.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CG2' ' A' ' 31' ' ' THR . 16.5 mtt85 -60.52 -83.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.345 -0.847 . . . . 0.0 109.893 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -54.98 -30.79 59.96 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.097 -1.002 . . . . 0.0 109.541 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -47.17 -46.36 23.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.244 -0.91 . . . . 0.0 109.415 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' OE2' ' HA ' ' A' ' 23' ' ' ARG . 2.5 pt-20 -78.92 -23.04 44.95 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.331 -0.856 . . . . 0.0 110.136 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.94 42.79 2.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HB1' ' OG1' ' A' ' 31' ' ' THR . . . -59.88 -160.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -1.155 . . . . 0.0 110.304 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' SER . 8.1 ptpp? -127.79 -44.51 1.49 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.279 -0.888 . . . . 0.0 110.149 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.6 m -128.39 25.5 5.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 0.0 109.883 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.77 ' OG1' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -107.3 40.03 1.77 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 33' ' ' VAL . 34.7 t70 -86.49 22.0 1.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.489 -0.757 . . . . 0.0 110.272 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 38' ' ' ILE . 29.0 m -52.44 -168.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.441 -0.787 . . . . 0.0 110.224 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.514 ' CA ' HG11 ' A' ' 20' ' ' VAL . 29.4 t -147.24 174.57 11.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.015 -1.053 . . . . 0.0 110.483 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 4.8 t80 -52.01 -65.87 0.48 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.392 -0.817 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -42.57 -47.29 5.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -59.46 2.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 110.179 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.883 HG13 HG13 ' A' ' 20' ' ' VAL . 10.1 mm -55.62 -20.43 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.577 ' OG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m -73.72 -48.8 29.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.197 -0.939 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.8 m -50.01 -57.83 6.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.6 ptm -57.85 -25.56 60.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.928 ' CD2' HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -66.41 -61.49 1.97 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 110.4 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -31.58 72.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.158 -0.964 . . . . 0.0 110.32 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -32.25 73.75 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.833 HD11 HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -96.75 -3.47 42.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 67.44 26.48 73.58 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.928 HD12 ' CD2' ' A' ' 42' ' ' LEU . 5.0 tt 43.59 24.98 0.07 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.211 -1.17 . . . . 0.0 110.624 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' VAL . 4.9 mmt85 -75.89 -49.36 18.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.228 -0.92 . . . . 0.0 111.912 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HD11 ' A' ' 45' ' ' LEU . 54.6 t -39.52 -96.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.07 -1.018 . . . . 0.0 111.814 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.732 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -35.66 -29.7 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.404 -0.81 . . . . 0.0 110.966 -178.414 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.519 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 20.5 p-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.182 0.515 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 64.74 0.34 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -0.893 . . . . 0.0 110.263 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 12' ' ' ILE . 10.3 mm -81.3 -42.23 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.0 110.186 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 35' ' ' PHE . 53.0 t -46.06 -49.06 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -0.957 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -61.67 -47.58 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -60.69 -45.77 92.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.123 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 18.4 mt -64.7 -55.17 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -0.931 . . . . 0.0 110.001 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m-20 -45.86 -47.76 15.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 mtpt -43.99 -43.83 6.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 0.0 110.023 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mt -74.47 -35.24 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.9 . . . . 0.0 109.969 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.832 HG22 HG13 ' A' ' 38' ' ' ILE . 3.2 t -70.44 -50.86 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.227 -0.921 . . . . 0.0 109.925 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.78 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -53.73 -24.01 13.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.085 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 tpt180 -68.02 -57.54 5.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.905 . . . . 0.0 110.085 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.622 ' CB ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.0 -55.99 5.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 109.731 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 8.2 ptm180 -69.6 -39.32 77.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.853 . . . . 0.0 109.619 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -44.08 -43.29 6.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 0.0 109.179 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.07 -30.11 62.22 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.548 -0.72 . . . . 0.0 109.759 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 89.62 14.62 59.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.544 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -110.36 35.74 3.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.141 -1.211 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 163.17 34.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.741 -0.599 . . . . 0.0 109.997 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' ARG . 80.7 p -89.75 16.95 7.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 110.075 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -108.01 -35.33 6.64 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.611 0.719 . . . . 0.0 109.12 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.24 -47.84 4.19 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.323 0.582 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG21 ' CB ' ' A' ' 23' ' ' ARG . 5.7 p -45.75 148.89 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 110.501 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' PHE . 3.3 t -175.52 146.29 0.77 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.359 -0.838 . . . . 0.0 110.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' SER . 40.8 t80 -42.81 -55.71 3.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.327 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -55.96 -28.97 59.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -80.2 -43.54 21.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 0.0 110.448 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.832 HG13 HG22 ' A' ' 20' ' ' VAL . 27.8 mm -71.46 -44.38 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.196 -0.94 . . . . 0.0 110.639 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.546 ' HB2' HD13 ' A' ' 16' ' ' ILE . 2.1 t -65.08 -45.26 86.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.083 -1.011 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 9.3 m -50.21 -54.65 19.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.251 -0.906 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -70.38 -27.37 64.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.082 -1.011 . . . . 0.0 110.718 -179.395 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -67.05 -48.28 68.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.512 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -43.29 78.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.148 -0.97 . . . . 0.0 110.55 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 40' ' ' THR . 34.7 mt-10 -57.69 -28.17 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 109.087 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.38 -2.8 32.5 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.715 -0.615 . . . . 0.0 109.466 179.421 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.633 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 51.95 41.28 51.87 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.633 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 35.47 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.83 -0.806 . . . . 0.0 110.937 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -74.16 -88.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.117 -0.989 . . . . 0.0 110.316 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.675 HG12 ' CD1' ' A' ' 45' ' ' LEU . 7.1 p -48.15 -24.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -0.983 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HB2' HD21 ' A' ' 45' ' ' LEU . 58.3 t80 -58.05 -54.34 48.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.112 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 O-C-N 121.251 -0.906 . . . . 0.0 110.351 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' HG23 ' A' ' 13' ' ' VAL . 6.1 m-20 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.53 -13.86 10.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 47' ' ' LEU . 11.8 mm -70.99 -35.52 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.205 -0.935 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG13 ' HZ ' ' A' ' 35' ' ' PHE . 90.0 t -41.66 -45.58 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.344 -0.847 . . . . 0.0 110.248 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.33 58.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -39.77 59.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.701 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 19' ' ' ILE . 43.0 mm -67.46 -46.83 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 110.225 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.5 m120 -44.07 -31.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -54.06 11.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.289 -0.882 . . . . 0.0 110.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 16' ' ' ILE . 5.8 mt -52.33 -51.38 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG13 ' A' ' 38' ' ' ILE . 47.1 t -63.34 -61.24 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' ARG . 12.5 mm-40 -49.31 -43.38 43.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.269 -0.894 . . . . 0.0 110.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -43.86 -48.84 8.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.0 110.106 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -44.53 -53.82 6.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.903 . . . . 0.0 110.043 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.54 -54.67 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 110.116 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.56 -23.18 0.91 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.597 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.11 -24.76 14.5 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.364 -0.835 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 123.71 58.65 0.19 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -55.49 -162.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -1.048 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -45.88 0.48 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.129 -0.982 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -145.43 -171.47 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -82.41 9.48 9.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -49.97 -27.34 5.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 20' ' ' VAL . 13.9 p -95.69 148.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.178 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 19.6 m -155.26 150.86 27.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.743 ' HA ' HG21 ' A' ' 20' ' ' VAL . 70.0 t80 -57.25 -40.7 78.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 0.0 110.159 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -69.27 -27.72 65.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.312 -0.867 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 1.0 OUTLIER -79.95 -43.55 21.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 0.0 110.427 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.012 HG13 HG22 ' A' ' 20' ' ' VAL . 15.6 mm -75.24 -22.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -61.63 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.555 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 4.4 t -41.39 -35.09 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.59 -60.32 2.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.314 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.061 HD11 ' CD2' ' A' ' 50' ' ' TYR . 2.3 mm? -56.8 -59.01 5.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.229 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -43.92 43.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.238 -0.913 . . . . 0.0 110.316 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' THR . 26.2 mt-10 -62.75 -18.27 62.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.109 -0.994 . . . . 0.0 108.648 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 41' ' ' MET . 3.8 mt -99.08 -3.37 34.84 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.768 -0.583 . . . . 0.0 109.625 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 69.26 7.07 56.57 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 77.46 -32.3 0.18 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.544 -0.974 . . . . 0.0 111.402 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.6 tpp180 -70.55 -65.95 0.67 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.861 -1.149 . . . . 0.0 110.52 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 49' ' ' VAL . 24.8 t -42.13 -32.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.293 -0.88 . . . . 0.0 110.343 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 1.061 ' CD2' HD11 ' A' ' 42' ' ' LEU . 20.2 t80 -74.2 -68.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.154 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.267 -0.896 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.8 t0 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.185 0.517 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.55 -46.2 13.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.546 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 12' ' ' ILE . 13.0 mm -51.78 -47.25 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 110.327 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.16 -33.52 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -49.94 72.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -52.44 -27.87 17.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.948 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.6 mm -74.55 -61.52 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.245 -0.91 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.768 ' O ' HG23 ' A' ' 20' ' ' VAL . 32.4 m-20 -42.05 -26.81 0.1 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ILE . 23.4 mttm -75.96 -60.53 2.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.15 -0.969 . . . . 0.0 109.433 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.748 HD11 ' OH ' ' A' ' 50' ' ' TYR . 37.0 mt -48.11 -54.68 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -44.8 -69.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.297 -0.877 . . . . 0.0 109.921 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.705 ' H ' HG23 ' A' ' 20' ' ' VAL . 2.1 mm-40 -46.21 -27.85 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.616 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -71.09 -35.21 71.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -43.53 -43.13 5.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.149 -0.97 . . . . 0.0 110.181 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.4 mtt180 -72.74 -60.32 2.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 110.11 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.77 -27.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 109.18 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -85.23 -30.0 24.21 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.53 -0.731 . . . . 0.0 110.065 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 126.72 48.99 0.18 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -53.77 -169.17 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -1.118 . . . . 0.0 110.217 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -129.69 -49.86 1.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 0.0 110.249 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.83 -166.21 2.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 t -87.38 0.07 56.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -51.16 -26.3 6.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -81.9 146.49 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 -179.25 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.089 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -55.58 -62.57 1.59 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.959 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -48.36 -47.05 37.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 110.214 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.6 t -61.77 -64.24 1.0 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.149 -0.97 . . . . 0.0 110.505 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.571 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.0 mm -55.02 -38.22 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.93 . . . . 0.0 110.302 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB2' HG21 ' A' ' 16' ' ' ILE . 14.8 t -74.43 -48.74 25.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 110.56 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 36' ' ' SER . 24.2 m -50.23 -42.74 52.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.325 -0.859 . . . . 0.0 110.899 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.5 ptt? -67.9 -29.68 68.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.171 -0.955 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.631 HD21 ' CG ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.62 -48.56 63.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 110.349 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -15.23 62.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.232 -0.918 . . . . 0.0 110.523 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' MET . 1.5 mm-40 -65.62 -31.3 72.25 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.82 -6.77 24.36 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.303 0.573 . . . . 0.0 109.548 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 82.26 19.77 63.93 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HA ' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER 63.86 7.91 3.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -1.182 . . . . 0.0 110.489 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -81.37 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.913 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -43.01 -35.97 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.748 ' OH ' HD11 ' A' ' 19' ' ' ILE . 61.1 t80 -50.73 -53.14 33.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 110.12 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 O-C-N 121.44 -0.788 . . . . 0.0 110.323 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.035 0.445 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -13.6 59.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.31 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' HG12 ' A' ' 16' ' ' ILE . 15.6 mm -54.37 -30.39 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.312 -0.868 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 14' ' ' TYR . 33.2 m -46.44 -45.2 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 110.373 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.5 m-85 -63.46 -60.55 3.22 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.185 -0.947 . . . . 0.0 110.375 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.65 -35.88 1.24 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.483 -0.76 . . . . 0.0 110.671 -179.117 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.904 ' CD1' HD13 ' A' ' 42' ' ' LEU . 18.3 mm -72.09 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.442 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -43.96 -26.23 0.26 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.23 -0.918 . . . . 0.0 110.14 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -76.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 0.0 110.622 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.595 ' CG2' HG21 ' A' ' 38' ' ' ILE . 2.8 tp -44.82 -44.9 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.756 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.967 HG13 HG22 ' A' ' 33' ' ' VAL . 15.1 t -59.86 -49.34 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.132 -0.98 . . . . 0.0 110.398 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.2 tt0 -42.65 -46.9 5.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.222 -0.924 . . . . 0.0 110.492 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.2 mtt180 -42.91 -50.25 5.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.163 -0.961 . . . . 0.0 110.31 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.616 ' CG ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -47.99 -59.06 3.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 110.156 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.23 -49.3 64.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.913 . . . . 0.0 110.086 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.33 -32.02 1.2 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.463 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -27.8 27.72 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.485 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 117.28 47.12 0.48 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -103.69 152.68 21.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 mtmt -145.04 63.24 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.49 149.84 38.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 0.0 110.127 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 m -66.32 -7.58 19.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.283 -0.886 . . . . 0.0 110.316 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -34.63 46.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.239 -0.913 . . . . 0.0 110.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.967 HG22 HG13 ' A' ' 20' ' ' VAL . 12.0 p -120.03 145.72 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.575 ' H ' HD13 ' A' ' 38' ' ' ILE . 0.4 OUTLIER 172.0 -175.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.245 -0.91 . . . . 0.0 109.987 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' ' OG ' ' A' ' 34' ' ' SER . 33.5 t80 -68.27 -64.07 0.94 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 0.0 110.092 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -68.9 -14.75 63.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.4 t -78.83 -63.96 1.29 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.986 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 20' ' ' VAL . 1.1 mp -61.26 -40.88 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.219 -0.926 . . . . 0.0 109.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -53.69 -41.87 67.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.093 -1.004 . . . . 0.0 109.989 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 44' ' ' GLU . 23.7 m -48.51 -72.02 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.233 -0.917 . . . . 0.0 110.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.584 ' HE2' HG23 ' A' ' 38' ' ' ILE . 5.2 ptt? -51.65 -30.98 23.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.904 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.45 -56.13 9.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.545 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.48 -45.86 90.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.123 -0.985 . . . . 0.0 110.687 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' OE1' HG22 ' A' ' 40' ' ' THR . 1.5 mp0 -56.16 -23.41 34.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.112 -0.992 . . . . 0.0 109.388 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.52 1.27 40.85 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.65 -0.656 . . . . 0.0 109.462 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 1.077 ' O ' HD22 ' A' ' 47' ' ' LEU . . . 55.73 45.04 86.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER 21.21 44.84 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -75.32 -87.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.086 -1.009 . . . . 0.0 109.968 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.5 -18.02 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 0.0 109.768 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CD1' HD21 ' A' ' 42' ' ' LEU . 62.6 t80 -72.03 -53.33 13.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 109.949 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.343 0 O-C-N 121.23 -0.919 . . . . 0.0 110.295 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.0 p30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.104 0.478 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -43.57 -27.39 0.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.464 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 16' ' ' ILE . 9.0 mm -73.83 -21.98 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 0.0 110.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 95.0 t -68.51 -33.41 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -71.32 -33.97 70.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.7 mttt -74.01 -49.19 25.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.0 110.386 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG23 HG22 ' A' ' 38' ' ' ILE . 19.0 mm -42.54 -43.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 13' ' ' VAL . 67.3 m-80 -59.06 -31.19 68.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 110.233 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' LYS . 10.5 mtpp -63.78 -46.52 84.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 110.304 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' ILE . 17.4 mm -49.05 -58.12 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.845 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.917 HG23 HG13 ' A' ' 38' ' ' ILE . 2.3 t -44.49 -72.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.681 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -38.26 -40.14 0.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.708 -0.62 . . . . 0.0 110.563 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.9 -37.09 78.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.902 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 1.045 ' CD ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.56 -55.87 6.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -0.898 . . . . 0.0 109.727 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -72.99 -25.59 61.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 0.0 109.741 179.585 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.8 -23.07 64.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.084 -1.01 . . . . 0.0 108.546 178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.8 -29.12 16.15 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.778 -0.576 . . . . 0.0 109.813 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 135.86 39.19 0.16 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -56.83 -156.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.229 -1.159 . . . . 0.0 110.4 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -38.8 1.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.373 -0.83 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.9 t -165.94 -166.47 0.93 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.219 -0.926 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 14.64 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 110.475 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.578 ' OD1' HG23 ' A' ' 33' ' ' VAL . 43.1 p-10 -57.02 -18.49 14.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 110.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.045 HG21 ' CD ' ' A' ' 23' ' ' ARG . 88.0 t -91.24 170.93 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -0.862 . . . . 0.0 110.22 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.561 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.2 p 174.34 175.43 0.16 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 39' ' ' SER . 42.3 t80 -47.99 -66.42 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.1 p -41.97 -42.65 2.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.287 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -70.87 -52.21 21.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.917 HG13 HG23 ' A' ' 20' ' ' VAL . 8.7 mm -67.73 -19.59 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.434 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.95 -60.05 2.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.1 -1.0 . . . . 0.0 110.132 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -50.75 -53.78 28.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 111.442 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 4.1 ptt? -45.82 -44.92 14.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 110.7 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -68.03 -54.53 17.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 110.321 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.11 -27.76 55.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -24.48 67.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.984 -1.073 . . . . 0.0 108.733 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.949 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -100.45 -5.15 27.52 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.36 0.6 . . . . 0.0 109.732 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 92.93 -4.28 74.84 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER 77.49 -22.15 0.3 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.456 -1.026 . . . . 0.0 111.273 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -30.8 61.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.949 HG11 ' CD2' ' A' ' 45' ' ' LEU . 58.8 t -59.48 -65.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 0.0 110.242 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' VAL . 75.9 t80 -41.41 -60.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.367 0 O-C-N 121.211 -0.931 . . . . 0.0 110.429 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 30.9 p-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.272 0.558 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.54 -11.05 9.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.9 mm -51.64 -39.27 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 110.242 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 14' ' ' TYR . 35.2 m -47.32 -40.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.923 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.8 t80 -71.99 -29.12 63.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -0.902 . . . . 0.0 110.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.06 -32.61 65.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.122 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.9 mt -70.03 -18.87 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.208 -0.932 . . . . 0.0 110.146 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -46.31 90.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.291 -0.88 . . . . 0.0 110.163 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.1 -24.01 62.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.18 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 21.8 mm -69.66 -49.8 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.191 -0.943 . . . . 0.0 110.177 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.899 HG22 HG13 ' A' ' 38' ' ' ILE . 6.0 t -70.11 -55.59 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 41.2 tt0 -44.87 -30.53 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 110.161 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 5.1 ttt-85 -49.75 -45.86 49.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 2.8 mmt180 -46.45 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.063 -1.023 . . . . 0.0 109.888 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 24.3 ttm-85 -58.94 -37.38 76.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.798 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.01 -39.68 5.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 109.712 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.3 pt-20 -82.98 -21.18 34.02 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 124.1 29.79 1.08 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.83 -165.43 0.63 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -1.169 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -163.46 -168.72 1.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.126 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 60.85 136.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.196 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -85.15 16.08 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 0.0 110.343 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -30.46 46.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.652 HG22 HG13 ' A' ' 20' ' ' VAL . 11.1 p -96.59 153.59 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 155.41 8.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 110.136 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.667 ' HA ' HG21 ' A' ' 20' ' ' VAL . 6.7 t80 -48.09 -48.87 33.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.893 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -65.22 -38.04 89.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.279 -0.888 . . . . 0.0 110.302 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -67.2 -46.17 74.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 110.421 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.899 HG13 HG22 ' A' ' 20' ' ' VAL . 34.0 mm -68.93 -27.55 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.9 . . . . 0.0 110.299 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.434 ' OG ' HG21 ' A' ' 16' ' ' ILE . 28.0 m -74.46 -61.63 1.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 41' ' ' MET . 6.5 t -50.17 -44.61 52.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.385 -0.822 . . . . 0.0 110.832 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.568 ' N ' HG23 ' A' ' 40' ' ' THR . 2.8 ptt? -62.57 -31.19 71.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.024 -1.048 . . . . 0.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.03 -62.59 1.33 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.76 -38.54 91.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' THR . 3.2 mm-40 -56.44 -27.2 56.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.173 -0.954 . . . . 0.0 109.001 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.53 -11.09 20.4 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.876 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 78.74 30.16 49.26 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.876 HD23 ' C ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER 36.87 28.65 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.625 -0.926 . . . . 0.0 111.031 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -74.53 -93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 45' ' ' LEU . 23.4 m -44.9 -26.16 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.5 t80 -55.63 -55.68 29.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.073 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 110.555 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.77 -28.27 47.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.209 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.3 mm -55.22 -50.23 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.251 -0.905 . . . . 0.0 110.262 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' ILE . 48.9 t -41.55 -48.6 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.425 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.06 -38.85 69.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.218 -0.926 . . . . 0.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 23.3 ttpp -53.33 -30.89 41.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.231 -0.918 . . . . 0.0 110.451 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.5 mt -79.99 -40.47 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 0.0 110.089 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -49.78 -46.4 50.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 10.4 pttt -74.97 -23.39 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 46.5 mt -77.6 -35.13 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.1 t -63.19 -48.98 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.66 -45.59 6.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 110.358 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.55 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 1.5 mpt_? -43.65 -44.08 6.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.284 -0.885 . . . . 0.0 110.277 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' HD2' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -43.16 -58.78 2.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 110.258 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -72.88 -35.63 67.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.139 -0.976 . . . . 0.0 109.843 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -52.43 -30.01 27.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.173 -0.954 . . . . 0.0 109.639 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.2 pt-20 -92.19 -21.56 20.3 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 115.71 54.73 0.36 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . . . -50.91 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -1.152 . . . . 0.0 110.239 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.94 -43.9 0.47 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.63 149.61 21.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 31' ' ' THR . 92.5 m -76.76 2.49 14.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.933 . . . . 0.0 110.177 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.76 -15.31 7.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG2' ' HG2' ' A' ' 23' ' ' ARG . 25.3 t -55.54 141.09 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -0.901 . . . . 0.0 110.477 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 2.8 t 170.05 139.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 20' ' ' VAL . 1.3 t80 -42.66 -45.13 4.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.12 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' THR . 49.2 m -67.04 -31.74 72.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.903 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' SER . 7.5 t -72.92 -54.35 8.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.277 -0.89 . . . . 0.0 109.88 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.823 HG13 HG13 ' A' ' 20' ' ' VAL . 31.4 mm -61.44 -24.96 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.867 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 40' ' ' THR . 82.6 p -75.01 -63.35 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 41' ' ' MET . 7.1 t -50.07 -45.34 52.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.74 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.586 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER -63.75 -33.24 75.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.974 -1.079 . . . . 0.0 110.24 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 47' ' ' LEU . 6.9 tp -68.85 -47.54 65.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -20.83 6.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -67.5 -29.83 69.36 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' CG1' ' A' ' 49' ' ' VAL . 1.3 mt -101.13 -11.31 19.68 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.29 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.635 ' O ' HD12 ' A' ' 47' ' ' LEU . . . 59.12 32.36 71.18 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 68.82 -47.95 0.57 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.278 -1.13 . . . . 0.0 111.264 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -44.88 -71.94 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.891 -1.131 . . . . 0.0 110.752 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.744 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 t -54.41 -36.76 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.118 -0.989 . . . . 0.0 110.078 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 50' ' ' TYR . 6.3 t80 -62.35 -45.12 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.954 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.332 0 O-C-N 121.336 -0.853 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.2 m-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.295 0.569 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -27.15 66.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.309 -0.87 . . . . 0.0 110.252 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 16' ' ' ILE . 1.3 pt -57.18 -30.61 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 110.486 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 48.3 t -45.94 -25.22 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 110.118 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -54.76 8.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.87 . . . . 0.0 110.466 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.7 ptmt -73.96 -40.35 63.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.806 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 12' ' ' ILE . 7.0 mt -68.03 -11.79 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.948 -1.095 . . . . 0.0 110.133 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.03 75.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.298 -0.876 . . . . 0.0 110.295 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -74.32 -23.84 59.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.897 . . . . 0.0 110.232 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 25.2 mm -60.38 -47.96 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.74 HG13 HG12 ' A' ' 33' ' ' VAL . 25.0 t -60.2 -72.54 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.088 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 20' ' ' VAL . 2.0 mt-10 -41.37 -44.07 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.485 -0.76 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' ARG . 21.3 ttt180 -52.18 -46.58 65.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.954 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.627 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 4.9 mtt180 -43.78 -54.67 4.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.9 ttm180 -65.85 -53.59 37.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.82 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -27.67 1.05 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.102 -0.999 . . . . 0.0 108.974 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.17 -21.02 27.76 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.589 -0.694 . . . . 0.0 110.233 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.66 -26.74 2.51 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' C ' ' A' ' 23' ' ' ARG . . . -45.1 145.47 1.03 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.155 -1.203 . . . . 0.0 109.993 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.76 -161.04 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 110.448 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p 59.57 168.43 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 0.0 110.255 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.86 38.37 0.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -94.43 -18.0 21.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -0.931 . . . . 0.0 110.04 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG12 HG13 ' A' ' 20' ' ' VAL . 23.2 t -93.25 140.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 12.1 t 174.32 148.91 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.517 -0.739 . . . . 0.0 109.644 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.633 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 6.4 t80 -45.05 -56.83 4.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.01 -1.057 . . . . 0.0 109.799 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -35.13 16.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.905 . . . . 0.0 109.872 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -79.96 -50.33 10.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.442 -0.786 . . . . 0.0 110.01 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.587 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.6 mm -64.09 -31.29 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 109.983 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 2.5 p -74.52 -47.7 31.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 109.981 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -50.27 -54.39 21.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.266 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.52 -30.46 69.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.35 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' SD ' ' A' ' 41' ' ' MET . 1.5 mt -68.54 -51.16 45.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -45.23 69.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 111.053 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 41' ' ' MET . 9.0 pt-20 -53.1 -24.16 9.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.042 -1.036 . . . . 0.0 108.777 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -100.38 -19.05 16.46 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' LEU . . . 83.01 17.03 68.29 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 7.3 tp 53.33 18.28 1.26 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -1.196 . . . . 0.0 110.317 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 5.0 ttm180 -74.22 -93.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.118 -0.989 . . . . 0.0 110.889 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.743 HG22 HD11 ' A' ' 45' ' ' LEU . 10.2 m -41.0 -35.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.559 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 13.4 t80 -54.28 -58.26 8.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.371 -0.831 . . . . 0.0 110.271 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.29 0 O-C-N 121.081 -1.012 . . . . 0.0 110.348 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 m-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.346 0.593 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' OE1' ' CA ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -63.51 -10.02 15.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.32 -0.862 . . . . 0.0 110.261 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.7 mm -51.56 -46.74 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.131 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 14' ' ' TYR . 28.9 m -45.09 -42.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 110.108 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.562 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 t80 -72.26 -38.05 68.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -30.9 67.84 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.428 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 12' ' ' ILE . 8.6 mt -76.36 -38.37 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.198 -0.939 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -49.4 -35.47 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.157 -0.964 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -75.18 -22.29 58.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.0 110.262 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.509 HD11 ' OH ' ' A' ' 50' ' ' TYR . 31.2 mm -69.64 -51.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.149 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.954 HG22 HG13 ' A' ' 38' ' ' ILE . 12.7 t -63.27 -45.44 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.103 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.23 -36.24 79.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.0 110.508 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 4.5 mtt180 -42.86 -48.12 5.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.165 -0.959 . . . . 0.0 110.256 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.54 -48.04 7.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.348 -0.845 . . . . 0.0 109.615 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 mtp180 -73.64 -47.09 42.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.278 -0.889 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -14.77 7.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.33 -0.856 . . . . 0.0 109.772 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -122.2 -1.43 9.23 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.315 -0.866 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 140.74 63.11 0.03 OUTLIER Glycine 0 N--CA 1.492 2.418 0 C-N-CA 119.377 -1.392 . . . . 0.0 109.913 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.641 ' HB2' ' HA ' ' A' ' 24' ' ' ARG . . . -41.85 139.81 1.16 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -1.121 . . . . 0.0 110.659 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.8 tmtt? -179.59 -62.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.231 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 p -106.68 40.01 1.72 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.43 -0.794 . . . . 0.0 109.201 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 23' ' ' ARG . 8.6 t -102.28 12.72 36.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.643 -0.661 . . . . 0.0 110.127 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 t0 -46.57 -24.53 0.54 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.359 -0.838 . . . . 0.0 109.837 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 32' ' ' ASP . 6.4 m -57.28 -157.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.157 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -169.18 -158.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.385 -0.822 . . . . 0.0 110.205 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 39' ' ' SER . 1.0 OUTLIER -66.84 -69.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 110.094 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -33.7 2.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.165 -0.959 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -72.72 -63.74 1.1 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.293 -0.879 . . . . 0.0 110.013 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.954 HG13 HG22 ' A' ' 20' ' ' VAL . 17.2 mm -67.07 -7.79 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 110.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -69.5 -69.8 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 110.354 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 44' ' ' GLU . 4.6 m -41.89 -30.51 0.26 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.35 -0.844 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -64.71 0.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.318 -0.864 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -53.38 -55.85 21.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.913 . . . . 0.0 110.348 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.69 -39.01 64.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.199 -0.938 . . . . 0.0 110.332 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HG2' HG22 ' A' ' 40' ' ' THR . 19.0 mm-40 -61.69 -20.58 63.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.0 108.711 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD23 ' HB ' ' A' ' 49' ' ' VAL . 1.3 mp -100.44 -5.29 27.34 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.308 0.575 . . . . 0.0 109.795 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 76.2 6.71 83.75 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.1 mt 77.12 -15.27 0.76 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.757 -0.849 . . . . 0.0 111.031 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -74.78 -79.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.894 -1.129 . . . . 0.0 110.109 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.712 ' HB ' HD23 ' A' ' 45' ' ' LEU . 24.9 t -44.8 -37.51 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.872 . . . . 0.0 110.09 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.884 ' CE2' HD21 ' A' ' 42' ' ' LEU . 7.5 t80 -43.38 -58.7 2.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 110.125 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.304 -1.381 0 O-C-N 121.218 -0.926 . . . . 0.0 110.626 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 t0 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.18 0.514 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.2 80.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.795 . . . . 0.0 110.337 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.48 -25.84 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.165 -0.959 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.829 HG12 ' CZ ' ' A' ' 35' ' ' PHE . 34.3 m -71.74 -28.63 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.78 -52.12 19.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -52.39 58.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.421 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.95 ' O ' HG22 ' A' ' 20' ' ' VAL . 44.8 mm -60.46 -37.64 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.609 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 m-20 -46.0 -23.48 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 110.673 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -74.6 -63.69 1.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 0.0 110.144 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.649 HD13 ' OH ' ' A' ' 50' ' ' TYR . 2.0 mp -48.78 -52.4 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.164 -0.96 . . . . 0.0 109.752 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -52.46 -66.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.12 -0.987 . . . . 0.0 110.497 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.736 ' H ' HG23 ' A' ' 20' ' ' VAL . 4.7 tp10 -50.27 -43.97 53.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.279 -0.888 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -47.4 -51.49 19.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 0.0 110.248 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 20.5 mmm180 -48.21 -54.42 13.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.179 -0.951 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -73.27 -39.18 65.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.0 109.59 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -37.76 7.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.271 -0.893 . . . . 0.0 109.311 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -80.48 -20.74 43.02 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 110.208 179.774 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' HG3' ' A' ' 26' ' ' GLU . . . 118.25 35.09 1.05 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -66.29 -176.45 0.43 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.134 -1.215 . . . . 0.0 110.041 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' SER . 2.8 pttt -160.47 -162.28 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.198 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 62.16 146.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -84.51 13.19 5.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -22.11 60.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.1 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.54 140.08 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 1.8 p -176.91 145.12 0.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.829 ' CZ ' HG12 ' A' ' 13' ' ' VAL . 39.5 t80 -43.05 -36.96 1.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -44.11 42.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 109.997 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -62.65 -53.1 59.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.79 HG13 HG12 ' A' ' 20' ' ' VAL . 10.2 mm -55.09 -37.51 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.328 -0.857 . . . . 0.0 110.241 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 m -65.71 -33.55 76.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 109.42 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.655 HG22 ' OE2' ' A' ' 44' ' ' GLU . 6.9 m -50.93 -69.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.526 -0.734 . . . . 0.0 110.761 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.94 -34.87 43.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 110.4 -179.438 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -68.28 -62.51 1.36 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.724 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 0.81 8.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.991 -1.068 . . . . 0.0 111.066 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.655 ' OE2' HG22 ' A' ' 40' ' ' THR . 8.2 mt-10 -77.05 -38.1 53.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.862 -1.149 . . . . 0.0 108.203 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.043 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.29 -5.35 25.57 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.237 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.847 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 99.34 32.55 5.73 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.962 HD12 ' CD2' ' A' ' 42' ' ' LEU . 2.4 tt 40.99 25.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.094 -1.239 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' GLY . 4.9 ttp180 -75.0 -75.28 0.17 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.946 -1.096 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -53.49 -38.96 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.116 -0.99 . . . . 0.0 110.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.971 ' CE2' HD11 ' A' ' 42' ' ' LEU . 8.1 t80 -47.52 -55.01 10.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 110.03 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.304 -1.386 0 O-C-N 121.263 -0.898 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.589 ' OD2' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.34 -15.38 10.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.259 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.599 HG21 HD21 ' A' ' 47' ' ' LEU . 8.5 pt -57.16 -20.95 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.0 110.214 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.605 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 4.8 p -50.65 -43.73 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.233 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.44 -42.09 65.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 110.616 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -74.28 -46.37 41.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.222 -0.924 . . . . 0.0 110.897 -179.389 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.531 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 48.6 mt -59.9 -33.16 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 110.414 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -64.31 0.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.179 -0.95 . . . . 0.0 110.585 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -57.24 -23.11 45.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.202 -0.936 . . . . 0.0 110.478 -179.632 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 29.2 mm -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.567 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 38' ' ' ILE . 18.3 t -54.33 -44.94 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.191 -0.943 . . . . 0.0 110.303 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' ARG . 20.7 tt0 -59.75 -58.92 6.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.43 -0.794 . . . . 0.0 111.212 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.22 -50.96 4.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.102 -0.999 . . . . 0.0 110.671 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' HG2' ' OG1' ' A' ' 31' ' ' THR . 0.2 OUTLIER -44.39 -71.52 0.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.976 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.89 -33.38 75.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.032 -1.042 . . . . 0.0 109.244 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -43.96 -35.84 2.21 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.899 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -87.99 -25.0 23.36 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.358 -0.839 . . . . 0.0 109.248 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 58.74 37.29 89.67 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -96.46 31.38 2.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.432 -1.04 . . . . 0.0 111.633 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 4.0 mttp 160.52 -162.76 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.679 -0.638 . . . . 0.0 110.02 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -90.0 38.48 0.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.83 . . . . 0.0 109.341 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.498 ' OG1' ' HG2' ' A' ' 23' ' ' ARG . 15.1 t -89.15 40.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.576 0.703 . . . . 0.0 109.551 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 9.4 t70 -85.31 20.81 1.88 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.447 -0.783 . . . . 0.0 110.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.793 HG11 HD11 ' A' ' 38' ' ' ILE . 2.1 p -55.56 -158.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.492 -0.755 . . . . 0.0 110.216 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.695 ' C ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -158.74 -179.06 7.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.073 -1.017 . . . . 0.0 110.099 -179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' A' ' 13' ' ' VAL . 15.8 t80 -62.78 -55.2 28.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.106 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -42.86 -41.83 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.95 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.49 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -80.04 -49.45 11.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.231 -0.918 . . . . 0.0 110.165 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.793 HD11 HG11 ' A' ' 33' ' ' VAL . 24.9 mm -67.22 -17.72 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 1.2 t -74.42 -69.81 0.43 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.17 -0.956 . . . . 0.0 110.477 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 41' ' ' MET . 7.2 t -41.19 -42.69 2.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.663 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.54 ' N ' HG23 ' A' ' 40' ' ' THR . 5.0 ptm -73.5 -26.67 61.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.412 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.032 HD12 HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -68.02 -52.77 31.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 110.622 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.18 88.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 110.47 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -28.48 67.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.06 -1.025 . . . . 0.0 109.002 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.59 5.68 44.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 58.05 25.84 57.4 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.032 HD23 HD12 ' A' ' 42' ' ' LEU . 0.7 OUTLIER 68.95 2.42 3.55 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.611 -0.935 . . . . 0.0 110.677 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -74.77 -15.85 60.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 110.442 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -43.94 -90.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.504 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 49' ' ' VAL . 7.8 p90 -59.52 -31.55 69.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.785 -1.197 . . . . 0.0 110.14 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.607 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.305 -1.351 0 O-C-N 121.193 -0.942 . . . . 0.0 110.404 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.864 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 22.7 tt0 -65.7 -15.68 63.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.256 -0.903 . . . . 0.0 110.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.579 ' CD1' HD21 ' A' ' 47' ' ' LEU . 38.6 mt -66.18 -31.01 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.188 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 10' ' ' ASP . 6.1 p -45.03 -38.63 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.483 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.0 t80 -72.06 -40.59 68.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LYS . 38.0 mtpt -68.14 -41.43 81.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.238 -0.914 . . . . 0.0 110.256 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 HG12 ' CD1' ' A' ' 42' ' ' LEU . 44.1 mt -44.17 -46.6 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -20.87 61.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 110.433 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -75.17 -26.33 59.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.206 -0.934 . . . . 0.0 110.441 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 mt -76.94 -49.39 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 110.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 34' ' ' SER . 11.8 t -58.91 -49.27 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 110.071 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 3.6 tt0 -59.55 -55.79 30.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 110.619 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 1.9 ttt-85 -48.25 -48.99 34.96 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.096 -1.002 . . . . 0.0 110.383 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CB ' ' A' ' 31' ' ' THR . 2.4 mpt_? -51.69 -68.63 0.15 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 110.178 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HD3' ' HB2' ' A' ' 32' ' ' ASP . 39.6 ttp180 -64.69 -30.61 71.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.95 -48.67 16.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.219 -0.926 . . . . 0.0 108.682 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.04 -18.59 49.72 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.368 -0.833 . . . . 0.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 62.59 26.24 68.14 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . -111.39 40.34 2.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.393 -1.063 . . . . 0.0 110.804 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 179.57 161.67 0.86 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.954 . . . . 0.0 110.549 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 m -87.84 40.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.277 -0.889 . . . . 0.0 109.889 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.533 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -105.87 44.16 1.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.398 -0.814 . . . . 0.0 109.518 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 8.7 p-10 -82.92 12.79 4.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 110.166 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.038 HG21 HD13 ' A' ' 38' ' ' ILE . 21.1 m -57.0 -151.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.397 -0.814 . . . . 0.0 110.522 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.785 ' HA ' HG11 ' A' ' 20' ' ' VAL . 9.1 m -147.59 -154.46 0.55 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.35 -0.844 . . . . 0.0 110.094 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' O ' ' CB ' ' A' ' 39' ' ' SER . 34.1 t80 -71.45 -64.18 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.4 t -39.6 -40.39 0.88 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.0 m -72.59 -76.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.151 -0.968 . . . . 0.0 110.11 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.68 -34.32 16.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 31.2 t -55.95 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 110.25 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 24.4 m -41.96 -44.36 3.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.387 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -58.27 4.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.295 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' CD1' HG12 ' A' ' 16' ' ' ILE . 12.8 mt -47.18 -61.52 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.499 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -41.71 90.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.865 . . . . 0.0 110.646 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -60.81 -19.09 58.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.939 -1.101 . . . . 0.0 108.93 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD23 HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -100.32 -4.8 28.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.772 -0.58 . . . . 0.0 109.943 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 77.77 10.74 86.03 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 12' ' ' ILE . 1.6 tp 77.9 -36.89 0.22 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.55 -0.971 . . . . 0.0 111.215 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.2 tmm_? -73.85 -65.56 0.82 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.831 -1.168 . . . . 0.0 110.355 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG12 HD23 ' A' ' 45' ' ' LEU . 24.6 t -42.06 -29.27 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.339 -0.851 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 47' ' ' LEU . 15.6 t80 -45.06 -59.87 2.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.36 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 O-C-N 121.314 -0.866 . . . . 0.0 110.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -137.12 93.04 2.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.6 t -109.09 82.04 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 17.1 mt-30 48.01 -162.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.0 110.093 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 61.01 124.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 110.135 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.91 149.39 50.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 110.237 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -84.72 111.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -123.35 -169.23 1.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.203 -0.936 . . . . 0.0 110.381 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -59.9 78.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -0.891 . . . . 0.0 110.261 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' SER . 11.7 tp10 -42.96 -26.79 0.15 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.209 -0.932 . . . . 0.0 110.156 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 12' ' ' ILE . 14.5 mm -51.93 -21.05 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 14' ' ' TYR . 11.4 p -46.7 -40.59 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.039 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 11.3 t80 -69.45 -28.99 66.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -50.41 47.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.317 -0.864 . . . . 0.0 110.09 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 42' ' ' LEU . 17.5 mt -66.2 -33.9 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 0.0 110.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.05 -37.77 77.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 110.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 40.6 mtpt -68.28 -36.83 79.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 110.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.495 HG13 ' OH ' ' A' ' 50' ' ' TYR . 24.3 mm -63.86 -58.7 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 110.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.798 HG22 ' CG1' ' A' ' 38' ' ' ILE . 21.8 t -47.03 -53.5 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.958 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -46.73 70.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -50.31 -27.21 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.888 . . . . 0.0 110.091 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.1 mmm-85 -61.46 -57.98 10.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.094 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 mpp_? -68.93 -48.15 63.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.84 -34.45 1.61 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.427 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.23 -28.09 29.47 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.424 -0.798 . . . . 0.0 109.933 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 121.92 27.5 1.71 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -50.54 173.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -1.127 . . . . 0.0 110.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.56 172.46 12.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.63 146.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t -89.2 32.42 0.84 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 0.0 110.223 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.5 -22.55 30.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.91 139.54 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 37' ' ' SER . 0.6 OUTLIER -175.69 151.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.169 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.585 ' HA ' HG21 ' A' ' 20' ' ' VAL . 84.2 t80 -43.39 -66.4 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.296 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -49.62 -40.06 37.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 34' ' ' SER . 15.1 m -62.84 -57.7 9.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.798 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.0 mm -62.61 -19.91 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.267 -0.896 . . . . 0.0 110.4 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -74.05 -52.7 11.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -48.98 -51.37 30.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 3.5 ptm -57.87 -29.54 65.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.901 . . . . 0.0 110.187 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -68.49 -46.35 69.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.928 . . . . 0.0 110.391 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.15 -27.33 13.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -0.902 . . . . 0.0 110.614 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -63.32 -31.0 72.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -97.03 0.25 48.39 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.208 0.528 . . . . 0.0 109.776 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.43 42.22 25.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 50' ' ' TYR . 10.9 tp 47.37 22.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.8 tpm_? -74.68 -120.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.924 . . . . 0.0 110.254 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.595 ' CG2' HD23 ' A' ' 45' ' ' LEU . 16.9 m -41.15 -27.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.147 -0.971 . . . . 0.0 110.123 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 1.008 ' CD2' HD21 ' A' ' 42' ' ' LEU . 29.2 t80 -55.93 -38.78 70.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.867 . . . . 0.0 109.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.65 -13.54 62.17 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 110.42 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -72.12 -32.72 67.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.9 . . . . 0.0 110.132 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -45.43 -32.9 2.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.174 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -83.89 -25.67 30.03 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.259 -0.901 . . . . 0.0 110.29 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 54' ' ' MET . 1.8 mt-10 45.22 -170.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.188 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.325 0.583 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -80.63 176.84 9.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.468 -0.77 . . . . 0.0 110.167 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 11.6 t 60.53 123.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 110.223 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.72 166.96 6.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.311 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.93 90.13 0.37 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.228 -0.92 . . . . 0.0 110.249 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -143.07 56.05 1.38 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.211 -0.93 . . . . 0.0 110.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.1 p -157.5 98.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.0 110.258 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLU . 3.0 m -148.13 130.98 16.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 110.065 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.589 ' HB2' HG23 ' A' ' 13' ' ' VAL . 24.3 p30 -60.02 78.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.228 -0.92 . . . . 0.0 110.239 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -58.01 -36.93 73.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.166 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 16' ' ' ILE . 13.9 mm -57.54 -45.31 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.161 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.589 HG23 ' HB2' ' A' ' 10' ' ' ASP . 38.6 t -43.15 -53.18 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -72.01 -25.42 61.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -33.8 68.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.212 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 42' ' ' LEU . 22.8 mm -73.36 -45.03 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.157 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 3.8 m120 -45.59 -31.33 1.82 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -63.47 -54.22 39.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.79 -38.34 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.855 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.869 HG22 HG13 ' A' ' 38' ' ' ILE . 21.9 t -69.51 -60.83 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 3.3 mt-10 -43.94 -31.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.219 -0.926 . . . . 0.0 110.244 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -38.75 55.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.258 -0.901 . . . . 0.0 110.15 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.814 ' HG3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -53.71 -71.23 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.083 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.77 -46.01 85.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.979 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -45.07 -36.86 3.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.067 -1.02 . . . . 0.0 109.313 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -29.99 34.88 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.41 -0.807 . . . . 0.0 110.025 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.89 34.5 0.47 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.52 -170.1 1.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.18 -1.188 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.275 -0.89 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -56.39 149.83 16.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 110.15 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 31' ' ' THR . 96.4 m -82.22 10.08 7.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.323 -0.861 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.27 2.11 16.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.845 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' A' ' 23' ' ' ARG . 40.2 t -121.92 149.67 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 110.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.13 151.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 0.0 110.183 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' HA ' HG21 ' A' ' 20' ' ' VAL . 26.5 t80 -47.72 -58.67 4.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.179 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -32.73 68.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 110.343 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.5 t -67.8 -55.42 13.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.869 HG13 HG22 ' A' ' 20' ' ' VAL . 15.2 mm -64.12 -50.8 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 110.332 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.537 ' CB ' HG21 ' A' ' 16' ' ' ILE . 2.1 p -55.48 -53.74 52.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.221 -0.924 . . . . 0.0 110.427 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 6.1 m -48.96 -56.32 9.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 110.526 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.8 ptt? -66.34 -23.17 66.31 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.925 . . . . 0.0 110.494 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.26 -53.36 25.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 110.558 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD23 ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.19 -44.4 92.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.0 110.607 -179.683 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -57.76 -21.36 41.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.129 -0.982 . . . . 0.0 109.066 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.063 HD13 HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -100.5 -7.15 24.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.676 -0.64 . . . . 0.0 110.037 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 68.74 33.01 74.86 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 73.24 -3.22 2.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.393 -1.063 . . . . 0.0 110.778 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -75.08 1.78 12.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.065 -1.022 . . . . 0.0 110.369 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.063 HG12 HD13 ' A' ' 45' ' ' LEU . 10.8 m -56.21 -113.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.207 -0.933 . . . . 0.0 110.512 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 49' ' ' VAL . 11.2 p90 -40.74 -28.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.07 -1.019 . . . . 0.0 110.444 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.66 -30.85 71.91 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 110.26 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . -74.04 -35.6 64.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 110.073 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.5 -59.46 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 110.448 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 8.5 ptm -62.43 -37.9 87.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.0 110.306 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 54' ' ' MET . 7.3 pt-20 38.8 -160.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.494 -0.754 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' OXT' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.234 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.158 0.504 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -170.53 -172.08 1.17 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.301 -0.874 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 4' ' ' VAL . 53.7 t -99.62 6.42 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.277 -0.889 . . . . 0.0 110.12 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' VAL . 53.7 mt-30 58.98 157.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 54.37 89.22 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 35.4 t80 -160.62 50.94 0.28 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.094 -1.004 . . . . 0.0 110.271 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -176.81 130.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 110.286 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -150.8 140.77 22.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.24 71.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.882 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -71.14 -6.05 36.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.273 -0.892 . . . . 0.0 110.338 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 1.4 pt -64.78 -15.51 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 41.8 t -60.35 -66.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.198 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -31.31 71.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.31 -0.869 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -54.8 7.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.248 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.9 mm -61.43 -45.5 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 110.119 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.2 -41.72 18.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.342 -0.848 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -58.07 -36.64 73.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.916 . . . . 0.0 110.264 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 38.5 mm -70.74 -47.34 64.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.89 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 38' ' ' ILE . 9.6 t -60.34 -46.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' OE2' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -51.67 -57.77 8.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.186 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -44.76 -46.77 10.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.098 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HB2' HG11 ' A' ' 33' ' ' VAL . 9.0 mmt180 -52.55 -67.08 0.28 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.917 . . . . 0.0 110.2 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -60.37 -44.63 95.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 110.175 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . . . -43.68 -43.45 5.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.11 -20.09 26.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.399 -0.813 . . . . 0.0 110.167 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 34.53 59.42 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -97.01 40.22 1.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.092 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER 177.37 32.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 0.0 109.91 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.36 -170.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 110.038 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -88.17 23.08 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.127 -0.983 . . . . 0.0 110.152 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -20.25 38.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.667 HG11 ' HB2' ' A' ' 23' ' ' ARG . 42.0 t -65.75 151.46 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.162 -0.961 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 179.09 148.05 0.21 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 110.162 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 20' ' ' VAL . 35.4 t80 -42.91 -61.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 40' ' ' THR . 60.1 p -46.91 -34.64 5.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.272 -0.893 . . . . 0.0 110.306 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -80.03 -42.88 22.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.277 -0.889 . . . . 0.0 110.261 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.927 HG13 HG22 ' A' ' 20' ' ' VAL . 27.4 mm -74.13 -37.63 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.133 -0.979 . . . . 0.0 110.134 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 t -74.42 -48.73 25.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.309 -0.869 . . . . 0.0 110.122 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.3 m -50.22 -47.9 54.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.365 -0.835 . . . . 0.0 110.639 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.69 -32.64 64.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 110.317 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.093 HD21 ' CD1' ' A' ' 47' ' ' LEU . 6.1 tt -66.74 -50.76 61.71 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -7.38 44.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.064 -1.023 . . . . 0.0 110.613 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -33.02 56.92 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.7 OUTLIER -101.76 -3.49 28.01 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.882 179.16 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.01 28.76 55.84 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.093 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.5 OUTLIER 50.69 14.73 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.129 -1.218 . . . . 0.0 111.651 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -73.27 0.27 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.719 -1.238 . . . . 0.0 110.616 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 21.5 t -49.92 -34.22 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 36.9 t80 -44.65 -50.79 9.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 110.176 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -11.91 29.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.155 -0.966 . . . . 0.0 110.477 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -78.3 -55.97 4.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.278 -0.889 . . . . 0.0 110.301 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -83.49 16.83 2.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.33 -0.856 . . . . 0.0 110.6 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -29.99 48.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 110.362 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.44 -165.6 0.81 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.346 0.593 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.1 ttpm? 56.65 73.25 0.46 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.929 . . . . 0.0 110.164 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 11.7 t 60.88 12.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 31.1 mt-30 54.86 164.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.078 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 175.47 48.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.995 . . . . 0.0 110.231 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 47.84 73.88 0.19 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.8 m -130.32 58.24 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.205 -0.934 . . . . 0.0 110.153 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -152.88 -174.46 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.279 -0.888 . . . . 0.0 110.11 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.49 77.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 0.0 110.152 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' SER . 10.8 mt-10 -70.85 -10.47 59.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 0.0 110.462 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 47' ' ' LEU . 6.4 mt -61.8 -26.55 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.197 -0.939 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.8 t -45.34 -50.97 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.203 -0.936 . . . . 0.0 110.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 3.0 t80 -69.49 -24.71 63.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 110.198 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -69.46 -54.88 12.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.368 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 39' ' ' SER . 54.5 mt -75.34 -25.01 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.289 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -65.0 -38.2 90.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 14' ' ' TYR . 12.6 mtpt -67.5 -37.3 82.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.177 -0.952 . . . . 0.0 110.067 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 50' ' ' TYR . 19.3 mt -53.96 -44.61 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.935 HG22 HG13 ' A' ' 38' ' ' ILE . 4.3 t -68.62 -49.45 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.165 -0.959 . . . . 0.0 110.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.28 -29.39 70.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.7 ttm-85 -44.4 -55.65 4.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 110.475 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.17 -45.0 5.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 0.0 110.03 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.689 ' HG3' ' HB2' ' A' ' 28' ' ' ALA . 21.4 ttm-85 -70.27 -58.14 4.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.932 . . . . 0.0 109.892 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -47.26 -24.11 0.67 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.155 -0.966 . . . . 0.0 109.007 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.98 -16.35 26.66 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.478 -0.764 . . . . 0.0 110.346 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.64 56.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 24' ' ' ARG . . . -36.05 144.54 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.674 -0.898 . . . . 0.0 111.033 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.7 ttmt 179.74 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.39 34.52 4.85 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 121.817 0.818 . . . . 0.0 108.895 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 23' ' ' ARG . 6.0 t -105.02 39.9 1.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.495 0.664 . . . . 0.0 109.767 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -51.12 -19.69 1.22 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.963 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 38' ' ' ILE . 41.9 t -45.8 173.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HG11 ' A' ' 20' ' ' VAL . 89.4 p -157.65 -175.83 5.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.793 -1.192 . . . . 0.0 110.757 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HG21 ' A' ' 20' ' ' VAL . 9.3 t80 -60.13 -62.34 1.94 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 110.189 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.7 m -42.08 -40.87 2.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -39.71 28.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.367 -0.833 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.935 HG13 HG22 ' A' ' 20' ' ' VAL . 26.4 mm -75.87 -25.68 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.0 110.654 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.437 ' HA ' HG21 ' A' ' 16' ' ' ILE . 8.4 t -74.28 -62.83 1.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -50.02 -20.11 0.88 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.903 . . . . 0.0 111.011 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 1.4 ptt? -68.62 -48.75 63.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.95 -1.094 . . . . 0.0 110.409 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD11 ' HA ' ' A' ' 47' ' ' LEU . 13.5 tp -69.05 -39.86 78.88 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.12 -0.988 . . . . 0.0 109.886 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.6 -23.27 0.63 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.241 -0.912 . . . . 0.0 110.243 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -66.76 -31.91 72.86 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.823 HD22 HG21 ' A' ' 49' ' ' VAL . 12.2 mt -90.09 -13.81 35.06 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.224 0.535 . . . . 0.0 109.749 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 98.19 1.22 58.24 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER 77.17 -18.99 0.45 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -1.106 . . . . 0.0 111.422 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 12.7 ptt180 -74.57 -43.38 55.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.795 -1.191 . . . . 0.0 110.503 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 HD22 ' A' ' 45' ' ' LEU . 95.2 t -53.28 -71.47 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.199 -0.938 . . . . 0.0 110.382 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CE2' HD11 ' A' ' 19' ' ' ILE . 12.2 t80 -43.02 -57.43 2.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -25.23 66.49 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.296 -0.878 . . . . 0.0 110.477 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . -78.3 -41.82 32.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.216 -0.928 . . . . 0.0 110.29 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -61.77 -23.38 66.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.346 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.406 ' HE3' ' HB2' ' A' ' 54' ' ' MET . 7.8 ptm -99.53 20.92 13.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.31 172.17 19.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -0.879 . . . . 0.0 110.273 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 3.8 ptt85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.18 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.261 0.553 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB3' ' HG2' ' A' ' 5' ' ' GLN . 1.3 mmpt? -130.93 147.41 52.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -103.61 3.1 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 110.149 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.2 pt20 -66.62 -163.37 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.287 -0.883 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 59.03 45.79 14.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 110.179 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' C ' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -66.05 -175.72 0.34 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.427 -0.795 . . . . 0.0 110.283 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.6 t 69.44 4.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.0 110.349 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 t 43.24 -152.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 110.374 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' SER . 10.3 p30 -31.95 90.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.484 0.659 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' SER . 13.9 tp10 -47.83 -21.28 0.39 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.688 -0.633 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 16' ' ' ILE . 15.1 mm -51.45 -21.22 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 110.075 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 45.9 t -56.79 -65.81 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.91 . . . . 0.0 110.01 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 18.5 t80 -55.78 -22.01 22.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.99 -43.21 79.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 39' ' ' SER . 10.7 mt -75.37 -11.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.04 -47.49 51.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.187 -0.946 . . . . 0.0 110.156 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -29.45 3.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 110.066 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.423 HD11 ' OH ' ' A' ' 50' ' ' TYR . 12.9 mm -76.11 -45.67 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.938 HG22 HG13 ' A' ' 38' ' ' ILE . 3.8 t -70.5 -51.21 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.912 . . . . 0.0 110.01 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.31 -44.15 5.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -43.18 -54.31 4.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.055 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -47.23 18.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.272 -0.892 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.1 ttm180 -71.56 -55.34 8.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.75 -30.31 0.63 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.263 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.4 27.59 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.736 . . . . 0.0 109.973 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 124.94 41.68 0.36 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.94 174.96 7.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.152 -1.205 . . . . 0.0 110.063 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -173.89 -35.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 110.382 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 8.5 t -43.44 155.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.54 39.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.205 -0.934 . . . . 0.0 110.253 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.73 -30.22 11.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 110.116 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 20' ' ' VAL . 7.7 p -106.66 138.98 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.294 -0.879 . . . . 0.0 110.212 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 15.9 m -163.95 145.43 8.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.0 110.206 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.7 ' HA ' HG21 ' A' ' 20' ' ' VAL . 44.2 t80 -43.3 -43.71 5.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.169 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -66.89 -32.88 74.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.9 -44.12 27.97 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.415 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.938 HG13 HG22 ' A' ' 20' ' ' VAL . 29.2 mm -70.12 -22.75 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.135 -0.978 . . . . 0.0 110.303 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -74.81 -55.22 6.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 110.495 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.7 m -50.1 -33.94 20.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 0.0 111.028 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -62.9 -28.99 70.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.033 -1.042 . . . . 0.0 110.482 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.858 HD22 HD23 ' A' ' 47' ' ' LEU . 5.2 mt -68.86 -60.05 2.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -40.3 64.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 110.084 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.15 -23.12 63.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.124 -0.985 . . . . 0.0 108.556 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.45 -6.0 26.25 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.686 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 73.93 7.31 75.56 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD22 ' A' ' 42' ' ' LEU . 12.7 mt 73.58 -24.7 0.2 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.635 -0.92 . . . . 0.0 111.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.5 tpt180 -74.22 -69.17 0.46 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 110.385 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.866 ' HB ' HD23 ' A' ' 45' ' ' LEU . 61.4 t -41.63 -27.62 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 14.0 t80 -64.28 -50.71 66.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 110.255 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -12.93 11.85 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.308 -0.87 . . . . 0.0 110.2 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -73.47 -54.85 7.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.31 33.58 0.69 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.32 -0.862 . . . . 0.0 110.433 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.2 ptm -59.47 -25.33 64.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.0 110.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.04 -165.39 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.905 . . . . 0.0 110.073 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.205 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.205 0.526 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 104.04 4.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.298 -0.876 . . . . 0.0 110.106 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 4' ' ' VAL . 42.6 t 52.16 90.04 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.657 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 3.9 mm-40 -45.62 170.74 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.274 -0.891 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 172.6 123.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.7 p90 -161.72 65.42 0.26 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 110.306 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 9' ' ' SER . 8.5 p -165.35 -43.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.592 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 171.75 45.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.179 -0.951 . . . . 0.0 110.264 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.47 -41.06 89.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 3.2 pt-20 -51.72 -21.08 2.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.239 -0.913 . . . . 0.0 110.392 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.7 mm -52.42 -57.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.298 -0.876 . . . . 0.0 110.263 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ILE . 91.2 t -43.34 -54.5 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.236 -0.915 . . . . 0.0 110.45 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.52 -23.86 64.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.218 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.39 -51.59 55.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 110.39 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.838 HG12 HD22 ' A' ' 42' ' ' LEU . 7.0 mt -63.6 -18.07 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.94 -48.04 48.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 110.409 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 1.9 ptmt -62.59 -26.01 68.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 0.0 110.283 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.611 HD13 HD11 ' A' ' 42' ' ' LEU . 56.1 mt -79.46 -50.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG13 ' A' ' 38' ' ' ILE . 14.8 t -67.2 -46.63 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.136 -0.978 . . . . 0.0 110.163 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.76 -40.53 2.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.296 -0.878 . . . . 0.0 110.19 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 7.0 mtp180 -44.78 -41.39 6.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 109.957 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 1.022 ' HB2' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.74 -51.45 16.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -70.39 -49.96 43.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.813 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.3 -33.73 1.7 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.315 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -82.61 -28.32 30.88 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.529 -0.732 . . . . 0.0 109.958 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 97.01 20.73 22.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . . . -49.7 174.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -1.163 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -144.56 9.93 1.4 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.195 -0.941 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -111.35 134.29 53.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.195 -0.941 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -3.1 14.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.66 -31.22 6.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.937 . . . . 0.0 110.114 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HB2' ' A' ' 23' ' ' ARG . 41.3 t -99.04 140.8 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 110.22 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 6.4 t -176.27 157.81 1.81 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 110.224 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 20' ' ' VAL . 19.7 t80 -49.33 -61.91 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.156 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -52.64 -33.37 46.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -0.93 . . . . 0.0 110.257 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -72.75 -54.52 8.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 110.215 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.015 HG13 HG22 ' A' ' 20' ' ' VAL . 12.3 mm -59.79 -46.32 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.174 -0.954 . . . . 0.0 110.227 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -46.8 -44.26 19.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 110.099 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 51.9 m -50.05 -69.0 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 2.3 ptt? -52.48 -23.75 6.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.838 HD22 HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.73 -65.88 0.64 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 110.707 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.64 -27.62 65.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 0.0 111.016 -179.312 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' THR . 15.5 mt-10 -66.81 -36.66 82.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.877 -1.139 . . . . 0.0 108.078 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.24 8.15 42.66 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 59.85 25.11 61.12 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER 33.12 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 122.05 -0.677 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' GLY . 28.8 ttt180 -74.53 -15.84 60.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 0.0 110.752 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.67 HG23 ' CD2' ' A' ' 50' ' ' TYR . 3.5 m -52.83 -105.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.222 -0.924 . . . . 0.0 110.59 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.67 ' CD2' HG23 ' A' ' 49' ' ' VAL . 2.7 p90 -43.43 -33.59 1.1 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.826 -1.171 . . . . 0.0 111.012 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.44 -11.58 34.72 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.008 -1.058 . . . . 0.0 110.667 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.58 62.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.895 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -86.22 -11.12 53.27 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.212 -0.93 . . . . 0.0 110.304 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.524 ' HB2' ' HA ' ' A' ' 51' ' ' GLU . 3.8 mmt -96.35 26.44 4.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -58.64 -174.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.176 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.234 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -132.58 166.29 22.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.401 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 5' ' ' GLN . 66.4 t -110.4 139.2 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' VAL . 12.1 mt-30 -45.78 170.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.443 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.02 101.94 5.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.943 . . . . 0.0 110.007 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -105.53 -168.78 1.5 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 110.412 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.6 p -69.37 89.76 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.197 -0.94 . . . . 0.0 110.128 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.5 p -87.85 -158.77 0.48 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.311 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.831 ' O ' HG12 ' A' ' 13' ' ' VAL . 2.7 m-20 -56.28 81.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.344 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -40.91 -31.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.491 -0.755 . . . . 0.0 110.434 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.85 -29.13 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 10' ' ' ASP . 3.1 p -45.48 -49.29 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.0 110.237 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.558 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -72.43 -32.18 66.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.143 -0.973 . . . . 0.0 110.015 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 18' ' ' LYS . 25.1 tttt -56.75 -48.79 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 110.245 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.018 HD13 HD13 ' A' ' 42' ' ' LEU . 46.9 mm -54.17 -46.51 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 81.6 m-20 -45.68 -53.66 9.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -43.8 -41.34 4.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.401 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.431 ' HB ' HG21 ' A' ' 38' ' ' ILE . 26.6 mm -78.09 -32.03 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 110.256 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' CB ' ' A' ' 38' ' ' ILE . 6.3 t -71.09 -48.28 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.241 -0.912 . . . . 0.0 110.19 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.19 -53.92 43.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.2 -49.73 16.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.101 -1.0 . . . . 0.0 110.2 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.832 ' HB3' HG21 ' A' ' 33' ' ' VAL . 6.7 mmp_? -48.08 -71.64 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.264 -0.897 . . . . 0.0 110.188 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . 1.3 mtt-85 -60.58 -45.24 94.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 109.951 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.08 -39.21 4.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.299 -0.876 . . . . 0.0 109.793 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 3.7 mt-10 -91.45 -19.63 22.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.423 -0.798 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.35 40.76 47.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -107.11 44.52 1.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -1.172 . . . . 0.0 110.198 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER 169.96 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.818 . . . . 0.0 110.064 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -56.58 -160.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 110.02 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.5 p -72.41 52.21 0.27 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.7 -29.12 11.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.138 -0.976 . . . . 0.0 110.063 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.832 HG21 ' HB3' ' A' ' 23' ' ' ARG . 92.3 t -71.12 158.44 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.837 . . . . 0.0 110.307 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER 170.81 146.25 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.954 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 40.7 t80 -44.77 -52.63 8.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 110.111 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.7 t -65.08 -28.4 69.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 110.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.3 t -80.1 -52.97 7.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 110.453 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.838 ' CB ' HG22 ' A' ' 20' ' ' VAL . 22.0 mm -67.24 -19.62 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.649 ' HA ' HD12 ' A' ' 16' ' ' ILE . 1.5 m -65.3 -66.57 0.53 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.08 -1.013 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.2 m -50.33 -38.06 39.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 110.459 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.26 -40.28 89.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 110.05 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.018 HD13 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -68.87 -31.26 70.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 110.213 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.25 -45.49 63.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.306 -0.871 . . . . 0.0 110.793 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.545 ' OE2' ' HA ' ' A' ' 41' ' ' MET . 5.6 pt-20 -54.17 -33.26 57.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 108.79 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -9.33 58.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.826 -0.546 . . . . 0.0 109.82 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 66.18 38.99 94.37 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.2 mt 41.47 40.84 1.4 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.187 -1.184 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -76.72 -77.71 0.14 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.365 -0.834 . . . . 0.0 112.339 -178.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 50' ' ' TYR . 55.2 t -39.42 -85.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.136 -0.978 . . . . 0.0 111.451 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.675 ' CE1' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -33.42 -29.43 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.867 -0.52 . . . . 0.0 111.655 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.11 -32.64 70.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.86 -1.15 . . . . 0.0 110.783 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 54' ' ' MET . . . -51.63 -30.51 21.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.136 -0.978 . . . . 0.0 110.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 54' ' ' MET . 13.1 mm-40 -57.43 -27.35 62.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 110.217 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER 62.32 46.01 6.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 110.312 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 26.92 5.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.086 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.289 -2.046 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.277 0.561 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 43.63 73.75 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 110.269 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.828 HG12 ' HG2' ' A' ' 5' ' ' GLN . 73.6 t -124.25 -53.97 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.828 ' HG2' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -179.12 -166.08 0.09 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 110.094 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 7' ' ' TYR . . . -172.03 89.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 6' ' ' ALA . 12.3 t80 56.73 159.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.301 -0.874 . . . . 0.0 110.275 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t -115.77 135.11 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -135.92 -160.58 1.07 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ILE . 9.8 p-10 -58.93 79.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 2.3 tt0 -66.4 60.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.417 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' ASP . 9.5 mm -88.32 -59.95 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 109.989 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 35.8 m -47.2 -31.4 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 23.1 t80 -71.52 -38.9 71.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -68.56 -32.93 73.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.0 110.106 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 20' ' ' VAL . 13.8 mt -70.96 -44.2 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 0.0 110.101 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -55.4 -35.39 65.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 10.1 mttm -73.53 -21.67 60.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.307 -0.871 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 16' ' ' ILE . 95.7 mt -83.6 -33.84 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.209 -0.932 . . . . 0.0 110.283 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.883 HG13 HG13 ' A' ' 38' ' ' ILE . 4.5 t -71.12 -48.71 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.349 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 11.3 pt-20 -55.37 -37.79 67.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.231 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 8.5 tpm_? -46.33 -32.39 3.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CG2' ' A' ' 31' ' ' THR . 16.5 mtt85 -60.52 -83.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.345 -0.847 . . . . 0.0 109.893 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -54.98 -30.79 59.96 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.097 -1.002 . . . . 0.0 109.541 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -47.17 -46.36 23.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.244 -0.91 . . . . 0.0 109.415 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' OE2' ' HA ' ' A' ' 23' ' ' ARG . 2.5 pt-20 -78.92 -23.04 44.95 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.331 -0.856 . . . . 0.0 110.136 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.94 42.79 2.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HB1' ' OG1' ' A' ' 31' ' ' THR . . . -59.88 -160.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -1.155 . . . . 0.0 110.304 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' SER . 8.1 ptpp? -127.79 -44.51 1.49 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.279 -0.888 . . . . 0.0 110.149 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.6 m -128.39 25.5 5.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 0.0 109.883 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.77 ' OG1' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -107.3 40.03 1.77 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 33' ' ' VAL . 34.7 t70 -86.49 22.0 1.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.489 -0.757 . . . . 0.0 110.272 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 38' ' ' ILE . 29.0 m -52.44 -168.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.441 -0.787 . . . . 0.0 110.224 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.514 ' CA ' HG11 ' A' ' 20' ' ' VAL . 29.4 t -147.24 174.57 11.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.015 -1.053 . . . . 0.0 110.483 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 4.8 t80 -52.01 -65.87 0.48 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.392 -0.817 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -42.57 -47.29 5.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -59.46 2.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 110.179 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.883 HG13 HG13 ' A' ' 20' ' ' VAL . 10.1 mm -55.62 -20.43 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.577 ' OG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m -73.72 -48.8 29.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.197 -0.939 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.8 m -50.01 -57.83 6.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.6 ptm -57.85 -25.56 60.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.928 ' CD2' HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -66.41 -61.49 1.97 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 110.4 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -31.58 72.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.158 -0.964 . . . . 0.0 110.32 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -32.25 73.75 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.833 HD11 HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -96.75 -3.47 42.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 67.44 26.48 73.58 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.928 HD12 ' CD2' ' A' ' 42' ' ' LEU . 5.0 tt 43.59 24.98 0.07 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.211 -1.17 . . . . 0.0 110.624 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' VAL . 4.9 mmt85 -75.89 -49.36 18.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.228 -0.92 . . . . 0.0 111.912 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HD11 ' A' ' 45' ' ' LEU . 54.6 t -39.52 -96.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.07 -1.018 . . . . 0.0 111.814 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.732 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -35.66 -29.7 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.404 -0.81 . . . . 0.0 110.966 -178.414 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -76.83 -37.82 54.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.519 -179.37 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 49' ' ' VAL . . . -67.88 -12.57 60.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -124.79 38.98 4.08 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.267 -0.896 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -75.82 -21.18 57.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -141.33 177.61 7.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.19 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.271 0.557 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.97 103.28 15.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.237 -0.914 . . . . 0.0 110.168 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.42 84.06 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.265 -0.897 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -100.22 161.08 13.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.145 -0.972 . . . . 0.0 110.235 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.02 108.83 1.74 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.911 . . . . 0.0 110.156 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -86.42 154.05 21.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.164 -0.96 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t 50.48 90.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.213 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' GLU . 5.1 t -134.5 136.99 43.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.244 -0.91 . . . . 0.0 110.226 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 20.5 p-10 -62.47 73.14 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.318 -0.864 . . . . 0.0 110.319 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.1 tt0 -71.0 64.74 0.34 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -0.893 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 12' ' ' ILE . 10.3 mm -81.3 -42.23 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.0 110.186 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 35' ' ' PHE . 53.0 t -46.06 -49.06 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -0.957 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -61.67 -47.58 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -60.69 -45.77 92.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.123 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 18.4 mt -64.7 -55.17 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -0.931 . . . . 0.0 110.001 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m-20 -45.86 -47.76 15.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 mtpt -43.99 -43.83 6.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 0.0 110.023 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mt -74.47 -35.24 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.9 . . . . 0.0 109.969 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.832 HG22 HG13 ' A' ' 38' ' ' ILE . 3.2 t -70.44 -50.86 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.227 -0.921 . . . . 0.0 109.925 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.78 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -53.73 -24.01 13.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.085 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 tpt180 -68.02 -57.54 5.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.905 . . . . 0.0 110.085 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' CB ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.0 -55.99 5.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 109.731 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 8.2 ptm180 -69.6 -39.32 77.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.853 . . . . 0.0 109.619 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -44.08 -43.29 6.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 0.0 109.179 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.07 -30.11 62.22 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.548 -0.72 . . . . 0.0 109.759 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 89.62 14.62 59.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.544 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -110.36 35.74 3.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.141 -1.211 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 163.17 34.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.741 -0.599 . . . . 0.0 109.997 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' ARG . 80.7 p -89.75 16.95 7.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 110.075 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -108.01 -35.33 6.64 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.611 0.719 . . . . 0.0 109.12 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.24 -47.84 4.19 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.323 0.582 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG21 ' CB ' ' A' ' 23' ' ' ARG . 5.7 p -45.75 148.89 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 110.501 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' PHE . 3.3 t -175.52 146.29 0.77 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.359 -0.838 . . . . 0.0 110.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' SER . 40.8 t80 -42.81 -55.71 3.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.327 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -55.96 -28.97 59.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -80.2 -43.54 21.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 0.0 110.448 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.832 HG13 HG22 ' A' ' 20' ' ' VAL . 27.8 mm -71.46 -44.38 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.196 -0.94 . . . . 0.0 110.639 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.546 ' HB2' HD13 ' A' ' 16' ' ' ILE . 2.1 t -65.08 -45.26 86.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.083 -1.011 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 9.3 m -50.21 -54.65 19.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.251 -0.906 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -70.38 -27.37 64.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.082 -1.011 . . . . 0.0 110.718 -179.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -67.05 -48.28 68.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.512 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -43.29 78.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.148 -0.97 . . . . 0.0 110.55 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 40' ' ' THR . 34.7 mt-10 -57.69 -28.17 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 109.087 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.38 -2.8 32.5 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.715 -0.615 . . . . 0.0 109.466 179.421 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.633 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 51.95 41.28 51.87 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.633 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 35.47 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.83 -0.806 . . . . 0.0 110.937 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -74.16 -88.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.117 -0.989 . . . . 0.0 110.316 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.675 HG12 ' CD1' ' A' ' 45' ' ' LEU . 7.1 p -48.15 -24.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -0.983 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.3 t80 -58.05 -54.34 48.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.112 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -10.61 58.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.251 -0.906 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -80.19 -56.72 4.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.252 -0.905 . . . . 0.0 110.373 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 2.8 pt20 -52.94 -21.87 4.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 110.319 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.7 mmm -88.01 -50.15 6.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.28 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ALA . 1.3 mt-10 -126.1 166.99 15.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.192 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.218 0.532 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 61.77 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.195 -0.941 . . . . 0.0 110.181 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 t -121.83 -41.21 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.187 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.5 mt-30 45.82 -167.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.937 . . . . 0.0 110.313 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 66.04 89.95 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.183 -0.948 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -53.12 104.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 110.151 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 8' ' ' VAL . 85.0 t 50.02 79.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -83.53 148.07 27.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 110.354 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' HG23 ' A' ' 13' ' ' VAL . 6.1 m-20 -62.09 78.09 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.198 -0.939 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . 12.1 tm-20 -59.53 -13.86 10.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 47' ' ' LEU . 11.8 mm -70.99 -35.52 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.205 -0.935 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG13 ' HZ ' ' A' ' 35' ' ' PHE . 90.0 t -41.66 -45.58 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.344 -0.847 . . . . 0.0 110.248 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.33 58.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -39.77 59.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.701 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 19' ' ' ILE . 43.0 mm -67.46 -46.83 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 110.225 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.5 m120 -44.07 -31.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -54.06 11.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.289 -0.882 . . . . 0.0 110.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 16' ' ' ILE . 5.8 mt -52.33 -51.38 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG13 ' A' ' 38' ' ' ILE . 47.1 t -63.34 -61.24 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' ARG . 12.5 mm-40 -49.31 -43.38 43.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.269 -0.894 . . . . 0.0 110.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -43.86 -48.84 8.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.0 110.106 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -44.53 -53.82 6.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.903 . . . . 0.0 110.043 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.54 -54.67 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 110.116 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.56 -23.18 0.91 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.597 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.11 -24.76 14.5 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.364 -0.835 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 123.71 58.65 0.19 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -55.49 -162.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -1.048 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -45.88 0.48 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.129 -0.982 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -145.43 -171.47 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -82.41 9.48 9.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -49.97 -27.34 5.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 20' ' ' VAL . 13.9 p -95.69 148.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.178 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 19.6 m -155.26 150.86 27.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.743 ' HA ' HG21 ' A' ' 20' ' ' VAL . 70.0 t80 -57.25 -40.7 78.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 0.0 110.159 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -69.27 -27.72 65.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.312 -0.867 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 1.0 OUTLIER -79.95 -43.55 21.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 0.0 110.427 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.012 HG13 HG22 ' A' ' 20' ' ' VAL . 15.6 mm -75.24 -22.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -61.63 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.555 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 4.4 t -41.39 -35.09 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.59 -60.32 2.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.314 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.061 HD11 ' CD2' ' A' ' 50' ' ' TYR . 2.3 mm? -56.8 -59.01 5.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.229 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -43.92 43.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.238 -0.913 . . . . 0.0 110.316 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' THR . 26.2 mt-10 -62.75 -18.27 62.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.109 -0.994 . . . . 0.0 108.648 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 41' ' ' MET . 3.8 mt -99.08 -3.37 34.84 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.768 -0.583 . . . . 0.0 109.625 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 69.26 7.07 56.57 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 77.46 -32.3 0.18 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.544 -0.974 . . . . 0.0 111.402 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.6 tpp180 -70.55 -65.95 0.67 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.861 -1.149 . . . . 0.0 110.52 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 49' ' ' VAL . 24.8 t -42.13 -32.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.293 -0.88 . . . . 0.0 110.343 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 1.061 ' CD2' HD11 ' A' ' 42' ' ' LEU . 20.2 t80 -74.2 -68.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.154 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -20.56 39.13 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.267 -0.896 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.41 -25.02 65.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.183 -0.948 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 54' ' ' MET . 11.0 pt20 -49.17 -43.12 41.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.871 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 47.4 mtp -154.49 -67.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 110.162 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' MET . 16.2 tt0 -179.72 155.92 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.188 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.248 0.547 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.582 ' C ' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -112.79 81.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.0 110.208 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG22 ' C ' ' A' ' 3' ' ' LYS . 26.8 m 35.71 76.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 21.7 mt-30 61.08 157.13 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 0.0 110.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 100.12 4.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -119.06 51.78 1.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.198 -0.938 . . . . 0.0 110.552 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 8' ' ' VAL . 47.1 t -114.84 59.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.191 -0.943 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.47 52.16 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.107 -0.996 . . . . 0.0 110.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.76 -43.85 97.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.89 . . . . 0.0 110.44 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.55 -46.2 13.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.546 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 12' ' ' ILE . 13.0 mm -51.78 -47.25 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 110.327 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.16 -33.52 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -49.94 72.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -52.44 -27.87 17.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.948 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.6 mm -74.55 -61.52 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.245 -0.91 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.768 ' O ' HG23 ' A' ' 20' ' ' VAL . 32.4 m-20 -42.05 -26.81 0.1 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ILE . 23.4 mttm -75.96 -60.53 2.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.15 -0.969 . . . . 0.0 109.433 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.748 HD11 ' OH ' ' A' ' 50' ' ' TYR . 37.0 mt -48.11 -54.68 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -44.8 -69.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.297 -0.877 . . . . 0.0 109.921 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.705 ' H ' HG23 ' A' ' 20' ' ' VAL . 2.1 mm-40 -46.21 -27.85 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.616 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -71.09 -35.21 71.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -43.53 -43.13 5.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.149 -0.97 . . . . 0.0 110.181 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.4 mtt180 -72.74 -60.32 2.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 110.11 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.77 -27.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 109.18 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -85.23 -30.0 24.21 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.53 -0.731 . . . . 0.0 110.065 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 126.72 48.99 0.18 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -53.77 -169.17 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -1.118 . . . . 0.0 110.217 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -129.69 -49.86 1.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 0.0 110.249 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.83 -166.21 2.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 t -87.38 0.07 56.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -51.16 -26.3 6.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -81.9 146.49 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 -179.25 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.089 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -55.58 -62.57 1.59 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.959 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -48.36 -47.05 37.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 110.214 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.6 t -61.77 -64.24 1.0 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.149 -0.97 . . . . 0.0 110.505 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.571 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.0 mm -55.02 -38.22 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.93 . . . . 0.0 110.302 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB2' HG21 ' A' ' 16' ' ' ILE . 14.8 t -74.43 -48.74 25.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 110.56 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 36' ' ' SER . 24.2 m -50.23 -42.74 52.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.325 -0.859 . . . . 0.0 110.899 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.5 ptt? -67.9 -29.68 68.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.171 -0.955 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.631 HD21 ' CG ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.62 -48.56 63.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 110.349 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -15.23 62.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.232 -0.918 . . . . 0.0 110.523 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' MET . 1.5 mm-40 -65.62 -31.3 72.25 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.82 -6.77 24.36 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.303 0.573 . . . . 0.0 109.548 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 82.26 19.77 63.93 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HA ' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER 63.86 7.91 3.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -1.182 . . . . 0.0 110.489 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -81.37 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.913 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.65 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 98.7 t -43.01 -35.97 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.748 ' OH ' HD11 ' A' ' 19' ' ' ILE . 61.1 t80 -50.73 -53.14 33.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 110.12 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG2' ' HG3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -62.42 -13.04 25.39 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.44 -0.788 . . . . 0.0 110.323 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -62.47 -46.46 88.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.153 -0.967 . . . . 0.0 109.906 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -95.46 38.18 1.16 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.347 -0.846 . . . . 0.0 110.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.491 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.66 -47.78 79.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.27 -0.894 . . . . 0.0 110.204 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 47.7 tt0 -134.44 159.97 39.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.934 . . . . 0.0 110.252 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.194 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.278 0.561 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' VAL . 5.0 ttmm -86.78 61.27 6.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.343 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' LYS . 6.8 p -43.96 146.21 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.273 -0.892 . . . . 0.0 110.124 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -68.72 157.91 35.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.253 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.8 80.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 110.224 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.906 ' HD2' HG23 ' A' ' 8' ' ' VAL . 17.2 t80 -95.33 166.73 11.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.451 -0.78 . . . . 0.0 110.085 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.906 HG23 ' HD2' ' A' ' 7' ' ' TYR . 42.5 t 54.63 -89.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.672 ' N ' HG12 ' A' ' 8' ' ' VAL . 2.0 m -113.55 137.59 51.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.0 110.147 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.32 -128.9 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.216 -0.928 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -13.6 59.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.31 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' HG12 ' A' ' 16' ' ' ILE . 15.6 mm -54.37 -30.39 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.312 -0.868 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 14' ' ' TYR . 33.2 m -46.44 -45.2 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 110.373 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.5 m-85 -63.46 -60.55 3.22 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.185 -0.947 . . . . 0.0 110.375 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.65 -35.88 1.24 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.483 -0.76 . . . . 0.0 110.671 -179.117 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.904 ' CD1' HD13 ' A' ' 42' ' ' LEU . 18.3 mm -72.09 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.442 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -43.96 -26.23 0.26 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.23 -0.918 . . . . 0.0 110.14 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -76.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 0.0 110.622 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.595 ' CG2' HG21 ' A' ' 38' ' ' ILE . 2.8 tp -44.82 -44.9 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.756 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.967 HG13 HG22 ' A' ' 33' ' ' VAL . 15.1 t -59.86 -49.34 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.132 -0.98 . . . . 0.0 110.398 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.2 tt0 -42.65 -46.9 5.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.222 -0.924 . . . . 0.0 110.492 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.2 mtt180 -42.91 -50.25 5.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.163 -0.961 . . . . 0.0 110.31 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' CG ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -47.99 -59.06 3.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 110.156 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.23 -49.3 64.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.913 . . . . 0.0 110.086 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.33 -32.02 1.2 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.463 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -27.8 27.72 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.485 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 117.28 47.12 0.48 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -103.69 152.68 21.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 mtmt -145.04 63.24 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.49 149.84 38.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 0.0 110.127 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 m -66.32 -7.58 19.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.283 -0.886 . . . . 0.0 110.316 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -34.63 46.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.239 -0.913 . . . . 0.0 110.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.967 HG22 HG13 ' A' ' 20' ' ' VAL . 12.0 p -120.03 145.72 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.575 ' H ' HD13 ' A' ' 38' ' ' ILE . 0.4 OUTLIER 172.0 -175.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.245 -0.91 . . . . 0.0 109.987 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' ' OG ' ' A' ' 34' ' ' SER . 33.5 t80 -68.27 -64.07 0.94 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 0.0 110.092 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -68.9 -14.75 63.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.4 t -78.83 -63.96 1.29 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.986 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 20' ' ' VAL . 1.1 mp -61.26 -40.88 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.219 -0.926 . . . . 0.0 109.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -53.69 -41.87 67.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.093 -1.004 . . . . 0.0 109.989 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 44' ' ' GLU . 23.7 m -48.51 -72.02 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.233 -0.917 . . . . 0.0 110.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.584 ' HE2' HG23 ' A' ' 38' ' ' ILE . 5.2 ptt? -51.65 -30.98 23.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.904 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.45 -56.13 9.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.545 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.48 -45.86 90.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.123 -0.985 . . . . 0.0 110.687 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' OE1' HG22 ' A' ' 40' ' ' THR . 1.5 mp0 -56.16 -23.41 34.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.112 -0.992 . . . . 0.0 109.388 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.52 1.27 40.85 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.65 -0.656 . . . . 0.0 109.462 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.077 ' O ' HD22 ' A' ' 47' ' ' LEU . . . 55.73 45.04 86.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER 21.21 44.84 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -75.32 -87.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.086 -1.009 . . . . 0.0 109.968 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.5 -18.02 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 0.0 109.768 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CD1' HD21 ' A' ' 42' ' ' LEU . 62.6 t80 -72.03 -53.33 13.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 109.949 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -71.55 -4.39 26.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.23 -0.919 . . . . 0.0 110.295 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.02 21.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.303 -0.873 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 18.3 pt20 -48.31 -34.16 10.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 0.0 110.052 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.405 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.6 mmt -75.86 -19.04 59.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 0.0 110.11 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -101.1 167.69 10.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.201 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.29 0.567 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -101.97 48.13 0.88 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.22 -0.925 . . . . 0.0 110.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 5' ' ' GLN . 11.2 m -120.24 41.01 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 110.391 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' VAL . 50.6 mt-30 43.2 -167.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' TYR . . . -122.12 80.24 1.69 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 110.347 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 8' ' ' VAL . 24.0 m-85 40.63 70.85 0.22 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.431 -0.793 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 7' ' ' TYR . 78.6 t 49.72 100.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.344 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.86 148.82 0.72 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.0 p30 -71.43 -2.36 16.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.0 110.54 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -43.57 -27.39 0.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.464 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 16' ' ' ILE . 9.0 mm -73.83 -21.98 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 0.0 110.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.487 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 95.0 t -68.51 -33.41 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 110.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -71.32 -33.97 70.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.7 mttt -74.01 -49.19 25.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.0 110.386 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG23 HG22 ' A' ' 38' ' ' ILE . 19.0 mm -42.54 -43.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 13' ' ' VAL . 67.3 m-80 -59.06 -31.19 68.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 110.233 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' LYS . 10.5 mtpp -63.78 -46.52 84.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 110.304 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' ILE . 17.4 mm -49.05 -58.12 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.845 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.917 HG23 HG13 ' A' ' 38' ' ' ILE . 2.3 t -44.49 -72.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.681 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -38.26 -40.14 0.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.708 -0.62 . . . . 0.0 110.563 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.9 -37.09 78.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.902 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 1.045 ' CD ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.56 -55.87 6.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -0.898 . . . . 0.0 109.727 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -72.99 -25.59 61.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 0.0 109.741 179.585 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.8 -23.07 64.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.084 -1.01 . . . . 0.0 108.546 178.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.8 -29.12 16.15 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.778 -0.576 . . . . 0.0 109.813 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 135.86 39.19 0.16 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -56.83 -156.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.229 -1.159 . . . . 0.0 110.4 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -38.8 1.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.373 -0.83 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.9 t -165.94 -166.47 0.93 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.219 -0.926 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 14.64 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 110.475 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.578 ' OD1' HG23 ' A' ' 33' ' ' VAL . 43.1 p-10 -57.02 -18.49 14.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 110.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.045 HG21 ' CD ' ' A' ' 23' ' ' ARG . 88.0 t -91.24 170.93 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -0.862 . . . . 0.0 110.22 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.561 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.2 p 174.34 175.43 0.16 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 39' ' ' SER . 42.3 t80 -47.99 -66.42 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.1 p -41.97 -42.65 2.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.287 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -70.87 -52.21 21.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.917 HG13 HG23 ' A' ' 20' ' ' VAL . 8.7 mm -67.73 -19.59 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.434 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.95 -60.05 2.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.1 -1.0 . . . . 0.0 110.132 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -50.75 -53.78 28.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 111.442 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 4.1 ptt? -45.82 -44.92 14.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 110.7 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -68.03 -54.53 17.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 110.321 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.11 -27.76 55.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -24.48 67.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.984 -1.073 . . . . 0.0 108.733 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.949 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -100.45 -5.15 27.52 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.36 0.6 . . . . 0.0 109.732 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 92.93 -4.28 74.84 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER 77.49 -22.15 0.3 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.456 -1.026 . . . . 0.0 111.273 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -30.8 61.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.949 HG11 ' CD2' ' A' ' 45' ' ' LEU . 58.8 t -59.48 -65.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 0.0 110.242 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' VAL . 75.9 t80 -41.41 -60.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -36.9 75.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.211 -0.931 . . . . 0.0 110.429 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . -69.66 -43.49 72.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -16.82 4.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.315 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mmm -83.21 -21.65 33.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.106 -0.996 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 52' ' ' ALA . 5.1 pt-20 -141.28 169.82 16.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.153 -0.967 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.296 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.266 0.555 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.39 133.48 7.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 5' ' ' GLN . 8.6 p -151.84 -38.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.333 -0.854 . . . . 0.0 110.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.502 ' N ' HG13 ' A' ' 4' ' ' VAL . 1.8 mt-30 -67.77 170.86 7.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -0.908 . . . . 0.0 110.088 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.79 45.83 1.87 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.53 57.51 1.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 0.0 110.216 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -125.74 24.51 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.8 p -105.4 -162.04 0.85 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 110.224 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 30.9 p-10 -58.7 80.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.2 tt0 -61.54 -11.05 9.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.463 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.9 mm -51.64 -39.27 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 110.242 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 14' ' ' TYR . 35.2 m -47.32 -40.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.923 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.8 t80 -71.99 -29.12 63.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -0.902 . . . . 0.0 110.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.06 -32.61 65.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.122 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.9 mt -70.03 -18.87 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.208 -0.932 . . . . 0.0 110.146 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -46.31 90.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.291 -0.88 . . . . 0.0 110.163 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.1 -24.01 62.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.18 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 21.8 mm -69.66 -49.8 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.191 -0.943 . . . . 0.0 110.177 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.899 HG22 HG13 ' A' ' 38' ' ' ILE . 6.0 t -70.11 -55.59 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 41.2 tt0 -44.87 -30.53 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 110.161 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 5.1 ttt-85 -49.75 -45.86 49.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 2.8 mmt180 -46.45 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.063 -1.023 . . . . 0.0 109.888 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 24.3 ttm-85 -58.94 -37.38 76.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.798 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.01 -39.68 5.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 109.712 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.3 pt-20 -82.98 -21.18 34.02 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 124.1 29.79 1.08 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.83 -165.43 0.63 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -1.169 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -163.46 -168.72 1.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.126 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 60.85 136.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.196 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -85.15 16.08 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 0.0 110.343 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -30.46 46.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.652 HG22 HG13 ' A' ' 20' ' ' VAL . 11.1 p -96.59 153.59 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 155.41 8.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 110.136 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.667 ' HA ' HG21 ' A' ' 20' ' ' VAL . 6.7 t80 -48.09 -48.87 33.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.893 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -65.22 -38.04 89.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.279 -0.888 . . . . 0.0 110.302 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -67.2 -46.17 74.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 110.421 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.899 HG13 HG22 ' A' ' 20' ' ' VAL . 34.0 mm -68.93 -27.55 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.9 . . . . 0.0 110.299 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.434 ' OG ' HG21 ' A' ' 16' ' ' ILE . 28.0 m -74.46 -61.63 1.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 41' ' ' MET . 6.5 t -50.17 -44.61 52.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.385 -0.822 . . . . 0.0 110.832 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.568 ' N ' HG23 ' A' ' 40' ' ' THR . 2.8 ptt? -62.57 -31.19 71.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.024 -1.048 . . . . 0.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.03 -62.59 1.33 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.76 -38.54 91.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' THR . 3.2 mm-40 -56.44 -27.2 56.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.173 -0.954 . . . . 0.0 109.001 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.53 -11.09 20.4 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.876 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 78.74 30.16 49.26 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.876 HD23 ' C ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER 36.87 28.65 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.625 -0.926 . . . . 0.0 111.031 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -74.53 -93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 45' ' ' LEU . 23.4 m -44.9 -26.16 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.5 t80 -55.63 -55.68 29.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.073 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -40.16 80.03 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 110.555 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.73 96.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.326 -0.858 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 10.1 mm-40 -45.12 -58.4 3.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -92.2 -8.99 43.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 53.63 -177.54 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 0.0 110.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.151 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.287 0.565 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -105.49 86.2 2.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 110.176 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.4 p -132.98 82.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.279 -0.888 . . . . 0.0 110.218 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.546 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 4.3 mm100 -56.14 -165.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 177.76 91.37 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.195 -0.941 . . . . 0.0 110.154 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.92 51.5 2.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.884 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -132.23 100.27 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -117.74 94.72 4.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.64 77.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.9 pt-20 -54.77 -28.27 47.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.3 mm -55.22 -50.23 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.251 -0.905 . . . . 0.0 110.262 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' ILE . 48.9 t -41.55 -48.6 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.425 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.06 -38.85 69.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.218 -0.926 . . . . 0.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 23.3 ttpp -53.33 -30.89 41.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.231 -0.918 . . . . 0.0 110.451 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.5 mt -79.99 -40.47 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 0.0 110.089 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -49.78 -46.4 50.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 10.4 pttt -74.97 -23.39 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 46.5 mt -77.6 -35.13 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.1 t -63.19 -48.98 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.66 -45.59 6.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 110.358 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.55 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 1.5 mpt_? -43.65 -44.08 6.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.284 -0.885 . . . . 0.0 110.277 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' HD2' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -43.16 -58.78 2.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 110.258 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -72.88 -35.63 67.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.139 -0.976 . . . . 0.0 109.843 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -52.43 -30.01 27.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.173 -0.954 . . . . 0.0 109.639 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.2 pt-20 -92.19 -21.56 20.3 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 115.71 54.73 0.36 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . . . -50.91 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -1.152 . . . . 0.0 110.239 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.94 -43.9 0.47 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.63 149.61 21.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 31' ' ' THR . 92.5 m -76.76 2.49 14.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.933 . . . . 0.0 110.177 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.76 -15.31 7.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG2' ' HG2' ' A' ' 23' ' ' ARG . 25.3 t -55.54 141.09 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -0.901 . . . . 0.0 110.477 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 2.8 t 170.05 139.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 20' ' ' VAL . 1.3 t80 -42.66 -45.13 4.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.12 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' THR . 49.2 m -67.04 -31.74 72.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.903 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' SER . 7.5 t -72.92 -54.35 8.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.277 -0.89 . . . . 0.0 109.88 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.823 HG13 HG13 ' A' ' 20' ' ' VAL . 31.4 mm -61.44 -24.96 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.867 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 40' ' ' THR . 82.6 p -75.01 -63.35 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 41' ' ' MET . 7.1 t -50.07 -45.34 52.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.74 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.586 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER -63.75 -33.24 75.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.974 -1.079 . . . . 0.0 110.24 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 47' ' ' LEU . 6.9 tp -68.85 -47.54 65.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -20.83 6.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -67.5 -29.83 69.36 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' CG1' ' A' ' 49' ' ' VAL . 1.3 mt -101.13 -11.31 19.68 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.29 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.635 ' O ' HD12 ' A' ' 47' ' ' LEU . . . 59.12 32.36 71.18 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 68.82 -47.95 0.57 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.278 -1.13 . . . . 0.0 111.264 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -44.88 -71.94 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.891 -1.131 . . . . 0.0 110.752 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.744 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 t -54.41 -36.76 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.118 -0.989 . . . . 0.0 110.078 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 6.3 t80 -62.35 -45.12 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.954 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 54' ' ' MET . 0.4 OUTLIER -65.84 -22.75 66.56 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.336 -0.853 . . . . 0.0 110.503 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.44 84.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.931 . . . . 0.0 110.154 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 3.0 pt20 -82.9 6.52 18.21 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -90.95 -72.29 0.59 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -0.933 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.11 165.54 17.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.197 -0.94 . . . . 0.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.256 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.276 0.56 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -93.03 98.37 11.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.1 p -94.62 72.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.228 -0.92 . . . . 0.0 110.204 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -172.54 2.05 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.202 -0.937 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.62 78.48 0.63 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 49.27 62.49 2.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.243 -0.911 . . . . 0.0 110.211 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 8' ' ' VAL . 55.3 t -110.34 -3.52 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 0.0 110.199 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLU . 80.6 p -73.8 146.52 44.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 0.0 110.173 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.2 m-20 -59.69 78.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.878 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -59.63 -27.15 66.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.309 -0.87 . . . . 0.0 110.252 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 16' ' ' ILE . 1.3 pt -57.18 -30.61 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 110.486 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 48.3 t -45.94 -25.22 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 110.118 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -54.76 8.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.87 . . . . 0.0 110.466 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.7 ptmt -73.96 -40.35 63.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.806 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 12' ' ' ILE . 7.0 mt -68.03 -11.79 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.948 -1.095 . . . . 0.0 110.133 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.03 75.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.298 -0.876 . . . . 0.0 110.295 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -74.32 -23.84 59.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.897 . . . . 0.0 110.232 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 25.2 mm -60.38 -47.96 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.74 HG13 HG12 ' A' ' 33' ' ' VAL . 25.0 t -60.2 -72.54 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.088 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 20' ' ' VAL . 2.0 mt-10 -41.37 -44.07 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.485 -0.76 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' ARG . 21.3 ttt180 -52.18 -46.58 65.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.954 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.627 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 4.9 mtt180 -43.78 -54.67 4.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.9 ttm180 -65.85 -53.59 37.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.82 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -27.67 1.05 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.102 -0.999 . . . . 0.0 108.974 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.17 -21.02 27.76 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.589 -0.694 . . . . 0.0 110.233 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.66 -26.74 2.51 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' C ' ' A' ' 23' ' ' ARG . . . -45.1 145.47 1.03 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.155 -1.203 . . . . 0.0 109.993 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.76 -161.04 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 110.448 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p 59.57 168.43 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 0.0 110.255 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.86 38.37 0.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -94.43 -18.0 21.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -0.931 . . . . 0.0 110.04 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG12 HG13 ' A' ' 20' ' ' VAL . 23.2 t -93.25 140.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 12.1 t 174.32 148.91 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.517 -0.739 . . . . 0.0 109.644 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.633 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 6.4 t80 -45.05 -56.83 4.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.01 -1.057 . . . . 0.0 109.799 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -35.13 16.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.905 . . . . 0.0 109.872 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -79.96 -50.33 10.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.442 -0.786 . . . . 0.0 110.01 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.587 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.6 mm -64.09 -31.29 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 109.983 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 2.5 p -74.52 -47.7 31.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 109.981 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -50.27 -54.39 21.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.266 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.52 -30.46 69.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.35 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' SD ' ' A' ' 41' ' ' MET . 1.5 mt -68.54 -51.16 45.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -45.23 69.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 111.053 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 41' ' ' MET . 9.0 pt-20 -53.1 -24.16 9.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.042 -1.036 . . . . 0.0 108.777 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -100.38 -19.05 16.46 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' LEU . . . 83.01 17.03 68.29 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 7.3 tp 53.33 18.28 1.26 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -1.196 . . . . 0.0 110.317 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 5.0 ttm180 -74.22 -93.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.118 -0.989 . . . . 0.0 110.889 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.743 HG22 HD11 ' A' ' 45' ' ' LEU . 10.2 m -41.0 -35.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.559 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 13.4 t80 -54.28 -58.26 8.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.371 -0.831 . . . . 0.0 110.271 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -27.28 69.09 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.081 -1.012 . . . . 0.0 110.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.03 -51.42 21.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -120.88 49.63 1.45 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 110.237 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' GLU . 3.7 ptt? -66.63 -27.11 67.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 54' ' ' MET . 36.9 mt-10 44.66 -170.44 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.908 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.279 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.228 0.537 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt 55.39 -178.36 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 5' ' ' GLN . 6.2 t 58.2 72.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 110.31 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' VAL . 54.4 mt-30 52.48 175.04 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.226 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.85 86.1 2.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 110.2 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 48.48 80.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 0.0 110.207 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.8 p -176.53 42.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.186 -0.947 . . . . 0.0 110.211 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.4 m -109.02 -163.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 m-20 -59.32 79.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.233 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -63.51 -10.02 15.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.32 -0.862 . . . . 0.0 110.261 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.7 mm -51.56 -46.74 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.131 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 14' ' ' TYR . 28.9 m -45.09 -42.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 110.108 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.562 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 t80 -72.26 -38.05 68.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -30.9 67.84 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.428 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 12' ' ' ILE . 8.6 mt -76.36 -38.37 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.198 -0.939 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -49.4 -35.47 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.157 -0.964 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -75.18 -22.29 58.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.0 110.262 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.509 HD11 ' OH ' ' A' ' 50' ' ' TYR . 31.2 mm -69.64 -51.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.149 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.954 HG22 HG13 ' A' ' 38' ' ' ILE . 12.7 t -63.27 -45.44 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.103 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.23 -36.24 79.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.0 110.508 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 4.5 mtt180 -42.86 -48.12 5.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.165 -0.959 . . . . 0.0 110.256 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.54 -48.04 7.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.348 -0.845 . . . . 0.0 109.615 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 mtp180 -73.64 -47.09 42.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.278 -0.889 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -14.77 7.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.33 -0.856 . . . . 0.0 109.772 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -122.2 -1.43 9.23 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.315 -0.866 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 140.74 63.11 0.03 OUTLIER Glycine 0 N--CA 1.492 2.418 0 C-N-CA 119.377 -1.392 . . . . 0.0 109.913 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.641 ' HB2' ' HA ' ' A' ' 24' ' ' ARG . . . -41.85 139.81 1.16 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -1.121 . . . . 0.0 110.659 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.8 tmtt? -179.59 -62.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.231 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 p -106.68 40.01 1.72 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.43 -0.794 . . . . 0.0 109.201 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 23' ' ' ARG . 8.6 t -102.28 12.72 36.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.643 -0.661 . . . . 0.0 110.127 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 t0 -46.57 -24.53 0.54 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.359 -0.838 . . . . 0.0 109.837 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 32' ' ' ASP . 6.4 m -57.28 -157.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.157 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -169.18 -158.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.385 -0.822 . . . . 0.0 110.205 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 39' ' ' SER . 1.0 OUTLIER -66.84 -69.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 110.094 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -33.7 2.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.165 -0.959 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -72.72 -63.74 1.1 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.293 -0.879 . . . . 0.0 110.013 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.954 HG13 HG22 ' A' ' 20' ' ' VAL . 17.2 mm -67.07 -7.79 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 110.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -69.5 -69.8 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 110.354 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 44' ' ' GLU . 4.6 m -41.89 -30.51 0.26 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.35 -0.844 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -64.71 0.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.318 -0.864 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -53.38 -55.85 21.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.913 . . . . 0.0 110.348 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.69 -39.01 64.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.199 -0.938 . . . . 0.0 110.332 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HG2' HG22 ' A' ' 40' ' ' THR . 19.0 mm-40 -61.69 -20.58 63.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.0 108.711 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD23 ' HB ' ' A' ' 49' ' ' VAL . 1.3 mp -100.44 -5.29 27.34 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.308 0.575 . . . . 0.0 109.795 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 76.2 6.71 83.75 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.1 mt 77.12 -15.27 0.76 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.757 -0.849 . . . . 0.0 111.031 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -74.78 -79.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.894 -1.129 . . . . 0.0 110.109 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.712 ' HB ' HD23 ' A' ' 45' ' ' LEU . 24.9 t -44.8 -37.51 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.872 . . . . 0.0 110.09 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.884 ' CE2' HD21 ' A' ' 42' ' ' LEU . 7.5 t80 -43.38 -58.7 2.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 110.125 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -62.9 -30.51 71.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.218 -0.926 . . . . 0.0 110.626 -179.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -65.02 -25.98 68.07 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.254 -0.904 . . . . 0.0 110.22 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -51.81 -46.84 64.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.361 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 49.95 28.93 3.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.53 165.72 24.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.152 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 tttm 63.39 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.34 -0.85 . . . . 0.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 5' ' ' GLN . 12.5 m -107.26 1.94 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.317 -0.864 . . . . 0.0 110.127 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.3 mt-30 55.41 165.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 0.0 110.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.506 ' CB ' ' HB2' ' A' ' 10' ' ' ASP . . . -177.58 54.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.211 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' SER . 69.5 m-85 52.26 104.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 110.44 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 7' ' ' TYR . 4.5 t 63.75 -70.42 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.347 -0.846 . . . . 0.0 110.554 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -172.87 130.44 0.51 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.177 -0.952 . . . . 0.0 110.321 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 12.4 t0 -73.71 -68.85 0.47 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.312 -0.868 . . . . 0.0 110.479 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.2 80.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.795 . . . . 0.0 110.337 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.48 -25.84 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.165 -0.959 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.829 HG12 ' CZ ' ' A' ' 35' ' ' PHE . 34.3 m -71.74 -28.63 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.78 -52.12 19.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -52.39 58.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.421 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.95 ' O ' HG22 ' A' ' 20' ' ' VAL . 44.8 mm -60.46 -37.64 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.609 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 m-20 -46.0 -23.48 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 110.673 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -74.6 -63.69 1.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 0.0 110.144 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.649 HD13 ' OH ' ' A' ' 50' ' ' TYR . 2.0 mp -48.78 -52.4 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.164 -0.96 . . . . 0.0 109.752 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -52.46 -66.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.12 -0.987 . . . . 0.0 110.497 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.736 ' H ' HG23 ' A' ' 20' ' ' VAL . 4.7 tp10 -50.27 -43.97 53.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.279 -0.888 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -47.4 -51.49 19.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 0.0 110.248 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 20.5 mmm180 -48.21 -54.42 13.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.179 -0.951 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -73.27 -39.18 65.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.0 109.59 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -37.76 7.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.271 -0.893 . . . . 0.0 109.311 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -80.48 -20.74 43.02 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 110.208 179.774 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' HG3' ' A' ' 26' ' ' GLU . . . 118.25 35.09 1.05 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -66.29 -176.45 0.43 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.134 -1.215 . . . . 0.0 110.041 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' SER . 2.8 pttt -160.47 -162.28 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.198 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 62.16 146.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -84.51 13.19 5.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -22.11 60.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.1 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.54 140.08 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 1.8 p -176.91 145.12 0.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.829 ' CZ ' HG12 ' A' ' 13' ' ' VAL . 39.5 t80 -43.05 -36.96 1.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -44.11 42.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 109.997 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -62.65 -53.1 59.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.79 HG13 HG12 ' A' ' 20' ' ' VAL . 10.2 mm -55.09 -37.51 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.328 -0.857 . . . . 0.0 110.241 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 m -65.71 -33.55 76.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 109.42 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.655 HG22 ' OE2' ' A' ' 44' ' ' GLU . 6.9 m -50.93 -69.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.526 -0.734 . . . . 0.0 110.761 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.94 -34.87 43.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 110.4 -179.438 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -68.28 -62.51 1.36 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.724 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 0.81 8.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.991 -1.068 . . . . 0.0 111.066 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.655 ' OE2' HG22 ' A' ' 40' ' ' THR . 8.2 mt-10 -77.05 -38.1 53.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.862 -1.149 . . . . 0.0 108.203 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.043 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.29 -5.35 25.57 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.237 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.847 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 99.34 32.55 5.73 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.962 HD12 ' CD2' ' A' ' 42' ' ' LEU . 2.4 tt 40.99 25.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.094 -1.239 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' GLY . 4.9 ttp180 -75.0 -75.28 0.17 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.946 -1.096 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -53.49 -38.96 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.116 -0.99 . . . . 0.0 110.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.971 ' CE2' HD11 ' A' ' 42' ' ' LEU . 8.1 t80 -47.52 -55.01 10.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 110.03 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -32.68 72.21 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.263 -0.898 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.31 -61.09 2.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' HG3' ' CG2' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -68.25 -26.09 65.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' TYR . 13.9 mtt 49.28 27.3 1.83 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.013 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 49.71 -174.7 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.206 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.343 0.592 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 78.13 1.24 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.24 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.792 HG22 ' HG3' ' A' ' 5' ' ' GLN . 7.4 p -93.17 155.23 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.329 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.792 ' HG3' HG22 ' A' ' 4' ' ' VAL . 49.3 mt-30 46.77 -165.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.0 110.224 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 174.82 117.93 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -0.962 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.42 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 49.0 p90 -46.17 152.17 0.43 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.912 . . . . 0.0 110.167 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 8' ' ' VAL . 53.9 t 53.93 80.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.212 -0.93 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -175.16 176.49 2.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 110.125 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.589 ' OD2' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -60.24 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.942 . . . . 0.0 110.279 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.8 pp20? -58.34 -15.38 10.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.259 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.599 HG21 HD21 ' A' ' 47' ' ' LEU . 8.5 pt -57.16 -20.95 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.0 110.214 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.605 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 4.8 p -50.65 -43.73 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.233 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.44 -42.09 65.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 110.616 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -74.28 -46.37 41.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.222 -0.924 . . . . 0.0 110.897 -179.389 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.531 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 48.6 mt -59.9 -33.16 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 110.414 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -64.31 0.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.179 -0.95 . . . . 0.0 110.585 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -57.24 -23.11 45.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.202 -0.936 . . . . 0.0 110.478 -179.632 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 29.2 mm -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.567 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 38' ' ' ILE . 18.3 t -54.33 -44.94 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.191 -0.943 . . . . 0.0 110.303 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' ARG . 20.7 tt0 -59.75 -58.92 6.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.43 -0.794 . . . . 0.0 111.212 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.22 -50.96 4.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.102 -0.999 . . . . 0.0 110.671 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' HG2' ' OG1' ' A' ' 31' ' ' THR . 0.2 OUTLIER -44.39 -71.52 0.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.976 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.89 -33.38 75.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.032 -1.042 . . . . 0.0 109.244 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -43.96 -35.84 2.21 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.899 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -87.99 -25.0 23.36 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.358 -0.839 . . . . 0.0 109.248 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 58.74 37.29 89.67 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -96.46 31.38 2.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.432 -1.04 . . . . 0.0 111.633 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 4.0 mttp 160.52 -162.76 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.679 -0.638 . . . . 0.0 110.02 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -90.0 38.48 0.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.83 . . . . 0.0 109.341 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.498 ' OG1' ' HG2' ' A' ' 23' ' ' ARG . 15.1 t -89.15 40.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.576 0.703 . . . . 0.0 109.551 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 9.4 t70 -85.31 20.81 1.88 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.447 -0.783 . . . . 0.0 110.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.793 HG11 HD11 ' A' ' 38' ' ' ILE . 2.1 p -55.56 -158.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.492 -0.755 . . . . 0.0 110.216 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.695 ' C ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -158.74 -179.06 7.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.073 -1.017 . . . . 0.0 110.099 -179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' A' ' 13' ' ' VAL . 15.8 t80 -62.78 -55.2 28.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.106 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -42.86 -41.83 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.95 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.49 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -80.04 -49.45 11.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.231 -0.918 . . . . 0.0 110.165 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.793 HD11 HG11 ' A' ' 33' ' ' VAL . 24.9 mm -67.22 -17.72 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 1.2 t -74.42 -69.81 0.43 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.17 -0.956 . . . . 0.0 110.477 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 41' ' ' MET . 7.2 t -41.19 -42.69 2.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.663 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.54 ' N ' HG23 ' A' ' 40' ' ' THR . 5.0 ptm -73.5 -26.67 61.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.412 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.032 HD12 HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -68.02 -52.77 31.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 110.622 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.18 88.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 110.47 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -28.48 67.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.06 -1.025 . . . . 0.0 109.002 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.59 5.68 44.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 58.05 25.84 57.4 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.032 HD23 HD12 ' A' ' 42' ' ' LEU . 0.7 OUTLIER 68.95 2.42 3.55 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.611 -0.935 . . . . 0.0 110.677 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -74.77 -15.85 60.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 110.442 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -43.94 -90.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.504 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 49' ' ' VAL . 7.8 p90 -59.52 -31.55 69.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.785 -1.197 . . . . 0.0 110.14 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.607 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -61.66 -20.35 63.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.193 -0.942 . . . . 0.0 110.404 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 54' ' ' MET . . . -73.36 -62.0 1.63 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.281 -0.887 . . . . 0.0 110.087 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' MET . 8.9 mm100 -59.97 -22.09 62.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.34 -0.85 . . . . 0.0 110.258 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 3.0 mmm 56.79 42.73 26.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.858 . . . . 0.0 110.165 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -173.42 1.12 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -0.933 . . . . 0.0 110.077 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.223 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.277 0.56 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -168.17 115.51 0.7 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.95 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.77 120.77 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 110.245 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.647 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -110.03 27.16 9.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 110.159 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 66.09 122.68 0.02 OUTLIER 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.391 0.615 . . . . 0.0 110.122 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.554 ' C ' HG22 ' A' ' 8' ' ' VAL . 24.9 m-85 -58.86 120.51 9.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.554 HG22 ' C ' ' A' ' 7' ' ' TYR . 14.2 m 33.85 79.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.793 -0.567 . . . . 0.0 110.895 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLU . 3.2 t -102.97 146.62 28.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.33 -0.856 . . . . 0.0 110.124 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.864 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.13 77.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.298 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.7 tt0 -65.7 -15.68 63.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.256 -0.903 . . . . 0.0 110.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.579 ' CD1' HD21 ' A' ' 47' ' ' LEU . 38.6 mt -66.18 -31.01 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.188 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 10' ' ' ASP . 6.1 p -45.03 -38.63 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.0 t80 -72.06 -40.59 68.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LYS . 38.0 mtpt -68.14 -41.43 81.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.238 -0.914 . . . . 0.0 110.256 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 HG12 ' CD1' ' A' ' 42' ' ' LEU . 44.1 mt -44.17 -46.6 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -20.87 61.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 110.433 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -75.17 -26.33 59.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.206 -0.934 . . . . 0.0 110.441 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 mt -76.94 -49.39 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 110.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 34' ' ' SER . 11.8 t -58.91 -49.27 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 110.071 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 3.6 tt0 -59.55 -55.79 30.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 110.619 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 1.9 ttt-85 -48.25 -48.99 34.96 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.096 -1.002 . . . . 0.0 110.383 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CB ' ' A' ' 31' ' ' THR . 2.4 mpt_? -51.69 -68.63 0.15 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 110.178 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HD3' ' HB2' ' A' ' 32' ' ' ASP . 39.6 ttp180 -64.69 -30.61 71.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.95 -48.67 16.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.219 -0.926 . . . . 0.0 108.682 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.04 -18.59 49.72 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.368 -0.833 . . . . 0.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 62.59 26.24 68.14 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . -111.39 40.34 2.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.393 -1.063 . . . . 0.0 110.804 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 179.57 161.67 0.86 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.954 . . . . 0.0 110.549 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 m -87.84 40.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.277 -0.889 . . . . 0.0 109.889 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.533 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -105.87 44.16 1.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.398 -0.814 . . . . 0.0 109.518 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 8.7 p-10 -82.92 12.79 4.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 110.166 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.038 HG21 HD13 ' A' ' 38' ' ' ILE . 21.1 m -57.0 -151.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.397 -0.814 . . . . 0.0 110.522 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.785 ' HA ' HG11 ' A' ' 20' ' ' VAL . 9.1 m -147.59 -154.46 0.55 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.35 -0.844 . . . . 0.0 110.094 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' O ' ' CB ' ' A' ' 39' ' ' SER . 34.1 t80 -71.45 -64.18 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.4 t -39.6 -40.39 0.88 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.0 m -72.59 -76.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.151 -0.968 . . . . 0.0 110.11 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.68 -34.32 16.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 31.2 t -55.95 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 110.25 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 24.4 m -41.96 -44.36 3.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.387 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -58.27 4.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.295 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' CD1' HG12 ' A' ' 16' ' ' ILE . 12.8 mt -47.18 -61.52 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.499 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -41.71 90.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.865 . . . . 0.0 110.646 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -60.81 -19.09 58.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.939 -1.101 . . . . 0.0 108.93 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD23 HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -100.32 -4.8 28.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.772 -0.58 . . . . 0.0 109.943 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 77.77 10.74 86.03 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 12' ' ' ILE . 1.6 tp 77.9 -36.89 0.22 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.55 -0.971 . . . . 0.0 111.215 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.2 tmm_? -73.85 -65.56 0.82 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.831 -1.168 . . . . 0.0 110.355 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.681 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 24.6 t -42.06 -29.27 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.339 -0.851 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CZ ' ' CE ' ' A' ' 54' ' ' MET . 15.6 t80 -45.06 -59.87 2.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.36 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -15.73 5.31 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.314 -0.866 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -78.48 -9.41 59.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.94 . . . . 0.0 110.521 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 8.7 pt20 -89.79 1.47 56.1 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.163 -0.961 . . . . 0.0 110.504 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.481 ' CE ' ' CZ ' ' A' ' 50' ' ' TYR . 30.9 mtt -104.2 28.55 6.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 110.507 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -123.47 161.69 24.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.145 -0.972 . . . . 0.0 110.197 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.231 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.276 0.56 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -42.96 -26.79 0.15 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.209 -0.932 . . . . 0.0 110.156 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 12' ' ' ILE . 14.5 mm -51.93 -21.05 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 14' ' ' TYR . 11.4 p -46.7 -40.59 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.039 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 11.3 t80 -69.45 -28.99 66.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -50.41 47.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.317 -0.864 . . . . 0.0 110.09 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 42' ' ' LEU . 17.5 mt -66.2 -33.9 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 0.0 110.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.05 -37.77 77.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 110.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 40.6 mtpt -68.28 -36.83 79.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 110.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.495 HG13 ' OH ' ' A' ' 50' ' ' TYR . 24.3 mm -63.86 -58.7 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 110.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.798 HG22 ' CG1' ' A' ' 38' ' ' ILE . 21.8 t -47.03 -53.5 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.958 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -46.73 70.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -50.31 -27.21 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.888 . . . . 0.0 110.091 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.1 mmm-85 -61.46 -57.98 10.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.094 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 mpp_? -68.93 -48.15 63.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.84 -34.45 1.61 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.427 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.23 -28.09 29.47 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.424 -0.798 . . . . 0.0 109.933 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 121.92 27.5 1.71 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -50.54 173.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -1.127 . . . . 0.0 110.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.56 172.46 12.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.63 146.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t -89.2 32.42 0.84 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 0.0 110.223 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.5 -22.55 30.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.91 139.54 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 37' ' ' SER . 0.6 OUTLIER -175.69 151.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.169 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.585 ' HA ' HG21 ' A' ' 20' ' ' VAL . 84.2 t80 -43.39 -66.4 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.296 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -49.62 -40.06 37.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 34' ' ' SER . 15.1 m -62.84 -57.7 9.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.798 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.0 mm -62.61 -19.91 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.267 -0.896 . . . . 0.0 110.4 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -74.05 -52.7 11.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -48.98 -51.37 30.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 3.5 ptm -57.87 -29.54 65.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.901 . . . . 0.0 110.187 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -68.49 -46.35 69.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.928 . . . . 0.0 110.391 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.15 -27.33 13.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -0.902 . . . . 0.0 110.614 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -63.32 -31.0 72.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -97.03 0.25 48.39 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.208 0.528 . . . . 0.0 109.776 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.43 42.22 25.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 50' ' ' TYR . 10.9 tp 47.37 22.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.8 tpm_? -74.68 -120.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.924 . . . . 0.0 110.254 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.595 ' CG2' HD23 ' A' ' 45' ' ' LEU . 16.9 m -41.15 -27.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.147 -0.971 . . . . 0.0 110.123 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 1.008 ' CD2' HD21 ' A' ' 42' ' ' LEU . 29.2 t80 -55.93 -38.78 70.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.867 . . . . 0.0 109.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 110.42 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.589 ' HB2' HG23 ' A' ' 13' ' ' VAL . 24.3 p30 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 121.196 0.522 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.93 73.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.166 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 16' ' ' ILE . 13.9 mm -57.54 -45.31 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.161 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.589 HG23 ' HB2' ' A' ' 10' ' ' ASP . 38.6 t -43.15 -53.18 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -72.01 -25.42 61.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -33.8 68.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.212 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 42' ' ' LEU . 22.8 mm -73.36 -45.03 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.157 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 3.8 m120 -45.59 -31.33 1.82 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -63.47 -54.22 39.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.79 -38.34 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.855 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.869 HG22 HG13 ' A' ' 38' ' ' ILE . 21.9 t -69.51 -60.83 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 3.3 mt-10 -43.94 -31.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.219 -0.926 . . . . 0.0 110.244 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -38.75 55.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.258 -0.901 . . . . 0.0 110.15 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.814 ' HG3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -53.71 -71.23 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.083 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.77 -46.01 85.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.979 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -45.07 -36.86 3.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.067 -1.02 . . . . 0.0 109.313 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -29.99 34.88 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.41 -0.807 . . . . 0.0 110.025 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.89 34.5 0.47 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.52 -170.1 1.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.18 -1.188 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.275 -0.89 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -56.39 149.83 16.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 110.15 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 31' ' ' THR . 96.4 m -82.22 10.08 7.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.323 -0.861 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.27 2.11 16.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.845 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' A' ' 23' ' ' ARG . 40.2 t -121.92 149.67 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 110.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.13 151.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 0.0 110.183 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' HA ' HG21 ' A' ' 20' ' ' VAL . 26.5 t80 -47.72 -58.67 4.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.179 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -32.73 68.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 110.343 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.5 t -67.8 -55.42 13.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.869 HG13 HG22 ' A' ' 20' ' ' VAL . 15.2 mm -64.12 -50.8 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 110.332 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.537 ' CB ' HG21 ' A' ' 16' ' ' ILE . 2.1 p -55.48 -53.74 52.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.221 -0.924 . . . . 0.0 110.427 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 6.1 m -48.96 -56.32 9.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 110.526 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.8 ptt? -66.34 -23.17 66.31 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.925 . . . . 0.0 110.494 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.26 -53.36 25.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 110.558 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD23 ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.19 -44.4 92.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.0 110.607 -179.683 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -57.76 -21.36 41.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.129 -0.982 . . . . 0.0 109.066 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.063 HD13 HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -100.5 -7.15 24.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.676 -0.64 . . . . 0.0 110.037 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 68.74 33.01 74.86 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 73.24 -3.22 2.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.393 -1.063 . . . . 0.0 110.778 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -75.08 1.78 12.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.065 -1.022 . . . . 0.0 110.369 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.063 HG12 HD13 ' A' ' 45' ' ' LEU . 10.8 m -56.21 -113.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.207 -0.933 . . . . 0.0 110.512 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 49' ' ' VAL . 11.2 p90 -40.74 -28.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.07 -1.019 . . . . 0.0 110.444 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.46 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 110.26 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.224 0.535 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -6.05 36.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.273 -0.892 . . . . 0.0 110.338 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 1.4 pt -64.78 -15.51 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 41.8 t -60.35 -66.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.198 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -31.31 71.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.31 -0.869 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -54.8 7.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.248 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.9 mm -61.43 -45.5 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 110.119 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.2 -41.72 18.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.342 -0.848 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -58.07 -36.64 73.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.916 . . . . 0.0 110.264 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 38.5 mm -70.74 -47.34 64.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.89 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 38' ' ' ILE . 9.6 t -60.34 -46.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' OE2' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -51.67 -57.77 8.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.186 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -44.76 -46.77 10.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.098 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HB2' HG11 ' A' ' 33' ' ' VAL . 9.0 mmt180 -52.55 -67.08 0.28 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.917 . . . . 0.0 110.2 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -60.37 -44.63 95.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 110.175 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . . . -43.68 -43.45 5.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.11 -20.09 26.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.399 -0.813 . . . . 0.0 110.167 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 34.53 59.42 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -97.01 40.22 1.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.092 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER 177.37 32.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 0.0 109.91 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.36 -170.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 110.038 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -88.17 23.08 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.127 -0.983 . . . . 0.0 110.152 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -20.25 38.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.667 HG11 ' HB2' ' A' ' 23' ' ' ARG . 42.0 t -65.75 151.46 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.162 -0.961 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 179.09 148.05 0.21 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 110.162 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 20' ' ' VAL . 35.4 t80 -42.91 -61.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 40' ' ' THR . 60.1 p -46.91 -34.64 5.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.272 -0.893 . . . . 0.0 110.306 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -80.03 -42.88 22.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.277 -0.889 . . . . 0.0 110.261 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.927 HG13 HG22 ' A' ' 20' ' ' VAL . 27.4 mm -74.13 -37.63 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.133 -0.979 . . . . 0.0 110.134 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 t -74.42 -48.73 25.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.309 -0.869 . . . . 0.0 110.122 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.3 m -50.22 -47.9 54.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.365 -0.835 . . . . 0.0 110.639 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.69 -32.64 64.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 110.317 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.093 HD21 ' CD1' ' A' ' 47' ' ' LEU . 6.1 tt -66.74 -50.76 61.71 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -7.38 44.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.064 -1.023 . . . . 0.0 110.613 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -33.02 56.92 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.7 OUTLIER -101.76 -3.49 28.01 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.882 179.16 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.01 28.76 55.84 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.093 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.5 OUTLIER 50.69 14.73 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.129 -1.218 . . . . 0.0 111.651 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -73.27 0.27 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.719 -1.238 . . . . 0.0 110.616 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' A' ' 45' ' ' LEU . 21.5 t -49.92 -34.22 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 36.9 t80 -44.65 -50.79 9.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 110.176 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.338 0 O-C-N 121.155 -0.966 . . . . 0.0 110.477 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.214 0.531 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -70.85 -10.47 59.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 47' ' ' LEU . 6.4 mt -61.8 -26.55 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.197 -0.939 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.8 t -45.34 -50.97 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.203 -0.936 . . . . 0.0 110.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 3.0 t80 -69.49 -24.71 63.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 110.198 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -69.46 -54.88 12.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.368 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 39' ' ' SER . 54.5 mt -75.34 -25.01 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.289 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -65.0 -38.2 90.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 14' ' ' TYR . 12.6 mtpt -67.5 -37.3 82.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.177 -0.952 . . . . 0.0 110.067 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 50' ' ' TYR . 19.3 mt -53.96 -44.61 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.935 HG22 HG13 ' A' ' 38' ' ' ILE . 4.3 t -68.62 -49.45 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.165 -0.959 . . . . 0.0 110.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.28 -29.39 70.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.7 ttm-85 -44.4 -55.65 4.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 110.475 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.17 -45.0 5.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 0.0 110.03 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.689 ' HG3' ' HB2' ' A' ' 28' ' ' ALA . 21.4 ttm-85 -70.27 -58.14 4.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.932 . . . . 0.0 109.892 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -47.26 -24.11 0.67 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.155 -0.966 . . . . 0.0 109.007 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.98 -16.35 26.66 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.478 -0.764 . . . . 0.0 110.346 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.64 56.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 24' ' ' ARG . . . -36.05 144.54 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.674 -0.898 . . . . 0.0 111.033 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.7 ttmt 179.74 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.39 34.52 4.85 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 121.817 0.818 . . . . 0.0 108.895 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 23' ' ' ARG . 6.0 t -105.02 39.9 1.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.495 0.664 . . . . 0.0 109.767 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -51.12 -19.69 1.22 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.963 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 38' ' ' ILE . 41.9 t -45.8 173.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HG11 ' A' ' 20' ' ' VAL . 89.4 p -157.65 -175.83 5.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.793 -1.192 . . . . 0.0 110.757 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HG21 ' A' ' 20' ' ' VAL . 9.3 t80 -60.13 -62.34 1.94 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 110.189 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.7 m -42.08 -40.87 2.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -39.71 28.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.367 -0.833 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.935 HG13 HG22 ' A' ' 20' ' ' VAL . 26.4 mm -75.87 -25.68 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.0 110.654 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.437 ' HA ' HG21 ' A' ' 16' ' ' ILE . 8.4 t -74.28 -62.83 1.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -50.02 -20.11 0.88 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.903 . . . . 0.0 111.011 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 1.4 ptt? -68.62 -48.75 63.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.95 -1.094 . . . . 0.0 110.409 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD11 ' HA ' ' A' ' 47' ' ' LEU . 13.5 tp -69.05 -39.86 78.88 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.12 -0.988 . . . . 0.0 109.886 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.6 -23.27 0.63 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.241 -0.912 . . . . 0.0 110.243 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -66.76 -31.91 72.86 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.823 HD22 HG21 ' A' ' 49' ' ' VAL . 12.2 mt -90.09 -13.81 35.06 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.224 0.535 . . . . 0.0 109.749 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 98.19 1.22 58.24 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER 77.17 -18.99 0.45 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -1.106 . . . . 0.0 111.422 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 12.7 ptt180 -74.57 -43.38 55.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.795 -1.191 . . . . 0.0 110.503 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 HD22 ' A' ' 45' ' ' LEU . 95.2 t -53.28 -71.47 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.199 -0.938 . . . . 0.0 110.382 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CE2' HD11 ' A' ' 19' ' ' ILE . 12.2 t80 -43.02 -57.43 2.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.305 -1.336 0 O-C-N 121.296 -0.878 . . . . 0.0 110.477 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 p30 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.484 0.659 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 14' ' ' TYR . 13.9 tp10 -47.83 -21.28 0.39 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.688 -0.633 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 16' ' ' ILE . 15.1 mm -51.45 -21.22 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 110.075 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 45.9 t -56.79 -65.81 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.91 . . . . 0.0 110.01 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 18.5 t80 -55.78 -22.01 22.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.99 -43.21 79.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 39' ' ' SER . 10.7 mt -75.37 -11.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.04 -47.49 51.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.187 -0.946 . . . . 0.0 110.156 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -29.45 3.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 110.066 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.423 HD11 ' OH ' ' A' ' 50' ' ' TYR . 12.9 mm -76.11 -45.67 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.938 HG22 HG13 ' A' ' 38' ' ' ILE . 3.8 t -70.5 -51.21 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.912 . . . . 0.0 110.01 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.31 -44.15 5.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -43.18 -54.31 4.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.055 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -47.23 18.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.272 -0.892 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.1 ttm180 -71.56 -55.34 8.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.75 -30.31 0.63 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.263 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.4 27.59 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.736 . . . . 0.0 109.973 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 124.94 41.68 0.36 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.94 174.96 7.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.152 -1.205 . . . . 0.0 110.063 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -173.89 -35.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 110.382 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 8.5 t -43.44 155.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.54 39.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.205 -0.934 . . . . 0.0 110.253 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.73 -30.22 11.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 110.116 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 20' ' ' VAL . 7.7 p -106.66 138.98 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.294 -0.879 . . . . 0.0 110.212 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 15.9 m -163.95 145.43 8.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.0 110.206 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.7 ' HA ' HG21 ' A' ' 20' ' ' VAL . 44.2 t80 -43.3 -43.71 5.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.169 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -66.89 -32.88 74.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.9 -44.12 27.97 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.415 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.938 HG13 HG22 ' A' ' 20' ' ' VAL . 29.2 mm -70.12 -22.75 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.135 -0.978 . . . . 0.0 110.303 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -74.81 -55.22 6.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 110.495 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.7 m -50.1 -33.94 20.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 0.0 111.028 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -62.9 -28.99 70.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.033 -1.042 . . . . 0.0 110.482 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.858 HD22 HD23 ' A' ' 47' ' ' LEU . 5.2 mt -68.86 -60.05 2.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -40.3 64.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 110.084 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.15 -23.12 63.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.124 -0.985 . . . . 0.0 108.556 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.45 -6.0 26.25 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.686 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 73.93 7.31 75.56 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD22 ' A' ' 42' ' ' LEU . 12.7 mt 73.58 -24.7 0.2 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.635 -0.92 . . . . 0.0 111.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.5 tpt180 -74.22 -69.17 0.46 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 110.385 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.866 ' HB ' HD23 ' A' ' 45' ' ' LEU . 61.4 t -41.63 -27.62 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 14.0 t80 -64.28 -50.71 66.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 110.255 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.304 -1.409 0 O-C-N 121.308 -0.87 . . . . 0.0 110.2 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.2 t0 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.242 0.544 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 3.2 pt-20 -51.72 -21.08 2.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.239 -0.913 . . . . 0.0 110.392 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.7 mm -52.42 -57.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.298 -0.876 . . . . 0.0 110.263 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ILE . 91.2 t -43.34 -54.5 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.236 -0.915 . . . . 0.0 110.45 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.52 -23.86 64.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.218 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.39 -51.59 55.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 110.39 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.838 HG12 HD22 ' A' ' 42' ' ' LEU . 7.0 mt -63.6 -18.07 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.94 -48.04 48.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 110.409 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 1.9 ptmt -62.59 -26.01 68.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 0.0 110.283 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.611 HD13 HD11 ' A' ' 42' ' ' LEU . 56.1 mt -79.46 -50.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG13 ' A' ' 38' ' ' ILE . 14.8 t -67.2 -46.63 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.136 -0.978 . . . . 0.0 110.163 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.76 -40.53 2.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.296 -0.878 . . . . 0.0 110.19 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 7.0 mtp180 -44.78 -41.39 6.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 109.957 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 1.022 ' HB2' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.74 -51.45 16.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -70.39 -49.96 43.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.813 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.3 -33.73 1.7 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.315 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -82.61 -28.32 30.88 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.529 -0.732 . . . . 0.0 109.958 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 97.01 20.73 22.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . . . -49.7 174.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -1.163 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -144.56 9.93 1.4 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.195 -0.941 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -111.35 134.29 53.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.195 -0.941 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -3.1 14.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.66 -31.22 6.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.937 . . . . 0.0 110.114 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HB2' ' A' ' 23' ' ' ARG . 41.3 t -99.04 140.8 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 110.22 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 6.4 t -176.27 157.81 1.81 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 110.224 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 20' ' ' VAL . 19.7 t80 -49.33 -61.91 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.156 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -52.64 -33.37 46.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -0.93 . . . . 0.0 110.257 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -72.75 -54.52 8.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 110.215 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.015 HG13 HG22 ' A' ' 20' ' ' VAL . 12.3 mm -59.79 -46.32 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.174 -0.954 . . . . 0.0 110.227 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -46.8 -44.26 19.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 110.099 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 51.9 m -50.05 -69.0 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 2.3 ptt? -52.48 -23.75 6.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.838 HD22 HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.73 -65.88 0.64 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 110.707 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.64 -27.62 65.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 0.0 111.016 -179.312 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' THR . 15.5 mt-10 -66.81 -36.66 82.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.877 -1.139 . . . . 0.0 108.078 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.24 8.15 42.66 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 59.85 25.11 61.12 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER 33.12 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 122.05 -0.677 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' GLY . 28.8 ttt180 -74.53 -15.84 60.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 0.0 110.752 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.67 HG23 ' CD2' ' A' ' 50' ' ' TYR . 3.5 m -52.83 -105.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.222 -0.924 . . . . 0.0 110.59 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.67 ' CD2' HG23 ' A' ' 49' ' ' VAL . 2.7 p90 -43.43 -33.59 1.1 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.826 -1.171 . . . . 0.0 111.012 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.008 -1.058 . . . . 0.0 110.667 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.831 ' O ' HG12 ' A' ' 13' ' ' VAL . 2.7 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.241 0.543 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -40.91 -31.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.491 -0.755 . . . . 0.0 110.434 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.85 -29.13 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 10' ' ' ASP . 3.1 p -45.48 -49.29 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.0 110.237 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.558 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -72.43 -32.18 66.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.143 -0.973 . . . . 0.0 110.015 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 18' ' ' LYS . 25.1 tttt -56.75 -48.79 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 110.245 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.018 HD13 HD13 ' A' ' 42' ' ' LEU . 46.9 mm -54.17 -46.51 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 81.6 m-20 -45.68 -53.66 9.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -43.8 -41.34 4.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.401 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.431 ' HB ' HG21 ' A' ' 38' ' ' ILE . 26.6 mm -78.09 -32.03 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 110.256 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' CB ' ' A' ' 38' ' ' ILE . 6.3 t -71.09 -48.28 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.241 -0.912 . . . . 0.0 110.19 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.19 -53.92 43.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.2 -49.73 16.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.101 -1.0 . . . . 0.0 110.2 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.832 ' HB3' HG21 ' A' ' 33' ' ' VAL . 6.7 mmp_? -48.08 -71.64 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.264 -0.897 . . . . 0.0 110.188 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . 1.3 mtt-85 -60.58 -45.24 94.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 109.951 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.08 -39.21 4.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.299 -0.876 . . . . 0.0 109.793 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 3.7 mt-10 -91.45 -19.63 22.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.423 -0.798 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.35 40.76 47.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -107.11 44.52 1.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -1.172 . . . . 0.0 110.198 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER 169.96 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.818 . . . . 0.0 110.064 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -56.58 -160.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 110.02 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.5 p -72.41 52.21 0.27 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.7 -29.12 11.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.138 -0.976 . . . . 0.0 110.063 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.832 HG21 ' HB3' ' A' ' 23' ' ' ARG . 92.3 t -71.12 158.44 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.837 . . . . 0.0 110.307 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER 170.81 146.25 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.954 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 40.7 t80 -44.77 -52.63 8.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 110.111 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.7 t -65.08 -28.4 69.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 110.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.3 t -80.1 -52.97 7.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 110.453 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.838 ' CB ' HG22 ' A' ' 20' ' ' VAL . 22.0 mm -67.24 -19.62 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.649 ' HA ' HD12 ' A' ' 16' ' ' ILE . 1.5 m -65.3 -66.57 0.53 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.08 -1.013 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.2 m -50.33 -38.06 39.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 110.459 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.26 -40.28 89.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 110.05 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.018 HD13 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -68.87 -31.26 70.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 110.213 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.25 -45.49 63.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.306 -0.871 . . . . 0.0 110.793 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.545 ' OE2' ' HA ' ' A' ' 41' ' ' MET . 5.6 pt-20 -54.17 -33.26 57.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 108.79 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -9.33 58.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.826 -0.546 . . . . 0.0 109.82 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 66.18 38.99 94.37 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.2 mt 41.47 40.84 1.4 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.187 -1.184 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -76.72 -77.71 0.14 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.365 -0.834 . . . . 0.0 112.339 -178.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 50' ' ' TYR . 55.2 t -39.42 -85.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.136 -0.978 . . . . 0.0 111.451 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.675 ' CE1' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -33.42 -29.43 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.867 -0.52 . . . . 0.0 111.655 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.86 -1.15 . . . . 0.0 110.783 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ILE . 9.8 p-10 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.147 0.499 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.4 60.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.417 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' ASP . 9.5 mm -88.32 -59.95 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 109.989 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 35.8 m -47.2 -31.4 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 23.1 t80 -71.52 -38.9 71.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -68.56 -32.93 73.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.0 110.106 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 20' ' ' VAL . 13.8 mt -70.96 -44.2 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 0.0 110.101 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -55.4 -35.39 65.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 10.1 mttm -73.53 -21.67 60.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.307 -0.871 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 16' ' ' ILE . 95.7 mt -83.6 -33.84 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.209 -0.932 . . . . 0.0 110.283 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.883 HG13 HG13 ' A' ' 38' ' ' ILE . 4.5 t -71.12 -48.71 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.349 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 11.3 pt-20 -55.37 -37.79 67.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.231 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 8.5 tpm_? -46.33 -32.39 3.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CG2' ' A' ' 31' ' ' THR . 16.5 mtt85 -60.52 -83.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.345 -0.847 . . . . 0.0 109.893 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -54.98 -30.79 59.96 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.097 -1.002 . . . . 0.0 109.541 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -47.17 -46.36 23.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.244 -0.91 . . . . 0.0 109.415 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' OE2' ' HA ' ' A' ' 23' ' ' ARG . 2.5 pt-20 -78.92 -23.04 44.95 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.331 -0.856 . . . . 0.0 110.136 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.94 42.79 2.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HB1' ' OG1' ' A' ' 31' ' ' THR . . . -59.88 -160.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -1.155 . . . . 0.0 110.304 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' SER . 8.1 ptpp? -127.79 -44.51 1.49 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.279 -0.888 . . . . 0.0 110.149 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.6 m -128.39 25.5 5.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 0.0 109.883 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.77 ' OG1' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -107.3 40.03 1.77 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 33' ' ' VAL . 34.7 t70 -86.49 22.0 1.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.489 -0.757 . . . . 0.0 110.272 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 38' ' ' ILE . 29.0 m -52.44 -168.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.441 -0.787 . . . . 0.0 110.224 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.514 ' CA ' HG11 ' A' ' 20' ' ' VAL . 29.4 t -147.24 174.57 11.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.015 -1.053 . . . . 0.0 110.483 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 4.8 t80 -52.01 -65.87 0.48 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.392 -0.817 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -42.57 -47.29 5.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -59.46 2.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 110.179 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.883 HG13 HG13 ' A' ' 20' ' ' VAL . 10.1 mm -55.62 -20.43 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.577 ' OG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m -73.72 -48.8 29.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.197 -0.939 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.8 m -50.01 -57.83 6.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.6 ptm -57.85 -25.56 60.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.928 ' CD2' HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -66.41 -61.49 1.97 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 110.4 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -31.58 72.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.158 -0.964 . . . . 0.0 110.32 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -32.25 73.75 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.833 HD11 HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -96.75 -3.47 42.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 67.44 26.48 73.58 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.928 HD12 ' CD2' ' A' ' 42' ' ' LEU . 5.0 tt 43.59 24.98 0.07 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.211 -1.17 . . . . 0.0 110.624 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' VAL . 4.9 mmt85 -75.89 -49.36 18.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.228 -0.92 . . . . 0.0 111.912 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HD11 ' A' ' 45' ' ' LEU . 54.6 t -39.52 -96.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.07 -1.018 . . . . 0.0 111.814 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.732 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -35.66 -29.7 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.404 -0.81 . . . . 0.0 110.966 -178.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.519 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 20.5 p-10 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.182 0.515 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 64.74 0.34 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -0.893 . . . . 0.0 110.263 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 12' ' ' ILE . 10.3 mm -81.3 -42.23 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.0 110.186 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 35' ' ' PHE . 53.0 t -46.06 -49.06 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -0.957 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -61.67 -47.58 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -60.69 -45.77 92.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.123 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 18.4 mt -64.7 -55.17 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -0.931 . . . . 0.0 110.001 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -45.86 -47.76 15.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 mtpt -43.99 -43.83 6.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 0.0 110.023 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mt -74.47 -35.24 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.9 . . . . 0.0 109.969 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.832 HG22 HG13 ' A' ' 38' ' ' ILE . 3.2 t -70.44 -50.86 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.227 -0.921 . . . . 0.0 109.925 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.78 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -53.73 -24.01 13.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.085 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 tpt180 -68.02 -57.54 5.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.905 . . . . 0.0 110.085 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.622 ' CB ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.0 -55.99 5.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 109.731 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 8.2 ptm180 -69.6 -39.32 77.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.853 . . . . 0.0 109.619 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -44.08 -43.29 6.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 0.0 109.179 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.07 -30.11 62.22 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.548 -0.72 . . . . 0.0 109.759 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 89.62 14.62 59.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.544 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -110.36 35.74 3.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.141 -1.211 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 163.17 34.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.741 -0.599 . . . . 0.0 109.997 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' ARG . 80.7 p -89.75 16.95 7.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 110.075 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -108.01 -35.33 6.64 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.611 0.719 . . . . 0.0 109.12 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.24 -47.84 4.19 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.323 0.582 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG21 ' CB ' ' A' ' 23' ' ' ARG . 5.7 p -45.75 148.89 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 110.501 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' PHE . 3.3 t -175.52 146.29 0.77 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.359 -0.838 . . . . 0.0 110.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' SER . 40.8 t80 -42.81 -55.71 3.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.327 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -55.96 -28.97 59.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -80.2 -43.54 21.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 0.0 110.448 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.832 HG13 HG22 ' A' ' 20' ' ' VAL . 27.8 mm -71.46 -44.38 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.196 -0.94 . . . . 0.0 110.639 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.546 ' HB2' HD13 ' A' ' 16' ' ' ILE . 2.1 t -65.08 -45.26 86.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.083 -1.011 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 9.3 m -50.21 -54.65 19.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.251 -0.906 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -70.38 -27.37 64.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.082 -1.011 . . . . 0.0 110.718 -179.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -67.05 -48.28 68.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.512 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -43.29 78.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.148 -0.97 . . . . 0.0 110.55 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 40' ' ' THR . 34.7 mt-10 -57.69 -28.17 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 109.087 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.38 -2.8 32.5 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.715 -0.615 . . . . 0.0 109.466 179.421 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.633 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 51.95 41.28 51.87 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.633 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 35.47 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.83 -0.806 . . . . 0.0 110.937 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -74.16 -88.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.117 -0.989 . . . . 0.0 110.316 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.675 HG12 ' CD1' ' A' ' 45' ' ' LEU . 7.1 p -48.15 -24.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -0.983 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HB2' HD21 ' A' ' 45' ' ' LEU . 58.3 t80 -58.05 -54.34 48.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.112 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 O-C-N 121.251 -0.906 . . . . 0.0 110.351 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' HG23 ' A' ' 13' ' ' VAL . 6.1 m-20 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.53 -13.86 10.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 47' ' ' LEU . 11.8 mm -70.99 -35.52 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.205 -0.935 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG13 ' HZ ' ' A' ' 35' ' ' PHE . 90.0 t -41.66 -45.58 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.344 -0.847 . . . . 0.0 110.248 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.33 58.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -39.77 59.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.701 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 19' ' ' ILE . 43.0 mm -67.46 -46.83 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 110.225 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 13' ' ' VAL . 36.4 m-80 -44.07 -31.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -54.06 11.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.289 -0.882 . . . . 0.0 110.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 16' ' ' ILE . 5.8 mt -52.33 -51.38 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG13 ' A' ' 38' ' ' ILE . 47.1 t -63.34 -61.24 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' ARG . 12.5 mm-40 -49.31 -43.38 43.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.269 -0.894 . . . . 0.0 110.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -43.86 -48.84 8.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.0 110.106 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -44.53 -53.82 6.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.903 . . . . 0.0 110.043 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.54 -54.67 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 110.116 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.56 -23.18 0.91 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.597 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.11 -24.76 14.5 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.364 -0.835 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 123.71 58.65 0.19 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -55.49 -162.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -1.048 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -45.88 0.48 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.129 -0.982 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -145.43 -171.47 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -82.41 9.48 9.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -49.97 -27.34 5.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 20' ' ' VAL . 13.9 p -95.69 148.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.178 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 19.6 m -155.26 150.86 27.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.743 ' HA ' HG21 ' A' ' 20' ' ' VAL . 70.0 t80 -57.25 -40.7 78.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 0.0 110.159 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -69.27 -27.72 65.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.312 -0.867 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 1.0 OUTLIER -79.95 -43.55 21.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 0.0 110.427 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.012 HG13 HG22 ' A' ' 20' ' ' VAL . 15.6 mm -75.24 -22.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -61.63 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.555 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 4.4 t -41.39 -35.09 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.59 -60.32 2.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.314 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.061 HD11 ' CD2' ' A' ' 50' ' ' TYR . 2.3 mm? -56.8 -59.01 5.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.229 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -43.92 43.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.238 -0.913 . . . . 0.0 110.316 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' THR . 26.2 mt-10 -62.75 -18.27 62.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.109 -0.994 . . . . 0.0 108.648 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 41' ' ' MET . 3.8 mt -99.08 -3.37 34.84 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.768 -0.583 . . . . 0.0 109.625 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 69.26 7.07 56.57 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 77.46 -32.3 0.18 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.544 -0.974 . . . . 0.0 111.402 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.6 tpp180 -70.55 -65.95 0.67 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.861 -1.149 . . . . 0.0 110.52 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 49' ' ' VAL . 24.8 t -42.13 -32.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.293 -0.88 . . . . 0.0 110.343 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 1.061 ' CD2' HD11 ' A' ' 42' ' ' LEU . 20.2 t80 -74.2 -68.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.154 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.358 0 O-C-N 121.267 -0.896 . . . . 0.0 110.33 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.8 t0 . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.185 0.517 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.55 -46.2 13.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.546 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 12' ' ' ILE . 13.0 mm -51.78 -47.25 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 110.327 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.16 -33.52 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -49.94 72.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -52.44 -27.87 17.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.948 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.6 mm -74.55 -61.52 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.245 -0.91 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.768 ' O ' HG23 ' A' ' 20' ' ' VAL . 32.4 m-20 -42.05 -26.81 0.1 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ILE . 23.4 mttm -75.96 -60.53 2.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.15 -0.969 . . . . 0.0 109.433 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.748 HD11 ' OH ' ' A' ' 50' ' ' TYR . 37.0 mt -48.11 -54.68 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -44.8 -69.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.297 -0.877 . . . . 0.0 109.921 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.705 ' H ' HG23 ' A' ' 20' ' ' VAL . 2.1 mm-40 -46.21 -27.85 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.616 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -71.09 -35.21 71.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -43.53 -43.13 5.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.149 -0.97 . . . . 0.0 110.181 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.4 mtt180 -72.74 -60.32 2.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 110.11 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.77 -27.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 109.18 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -85.23 -30.0 24.21 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.53 -0.731 . . . . 0.0 110.065 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 126.72 48.99 0.18 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -53.77 -169.17 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -1.118 . . . . 0.0 110.217 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -129.69 -49.86 1.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 0.0 110.249 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.83 -166.21 2.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 t -87.38 0.07 56.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -51.16 -26.3 6.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -81.9 146.49 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 -179.25 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.089 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -55.58 -62.57 1.59 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.959 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -48.36 -47.05 37.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 110.214 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.6 t -61.77 -64.24 1.0 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.149 -0.97 . . . . 0.0 110.505 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.571 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.0 mm -55.02 -38.22 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.93 . . . . 0.0 110.302 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB2' HG21 ' A' ' 16' ' ' ILE . 14.8 t -74.43 -48.74 25.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 110.56 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 36' ' ' SER . 24.2 m -50.23 -42.74 52.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.325 -0.859 . . . . 0.0 110.899 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.5 ptt? -67.9 -29.68 68.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.171 -0.955 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.631 HD21 ' CG ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.62 -48.56 63.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 110.349 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -15.23 62.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.232 -0.918 . . . . 0.0 110.523 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' MET . 1.5 mm-40 -65.62 -31.3 72.25 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.82 -6.77 24.36 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.303 0.573 . . . . 0.0 109.548 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 82.26 19.77 63.93 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HA ' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER 63.86 7.91 3.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -1.182 . . . . 0.0 110.489 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -81.37 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.913 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.7 t -43.01 -35.97 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.748 ' OH ' HD11 ' A' ' 19' ' ' ILE . 61.1 t80 -50.73 -53.14 33.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 110.12 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 O-C-N 121.44 -0.788 . . . . 0.0 110.323 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.035 0.445 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -13.6 59.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.31 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' HG12 ' A' ' 16' ' ' ILE . 15.6 mm -54.37 -30.39 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.312 -0.868 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 14' ' ' TYR . 33.2 m -46.44 -45.2 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 110.373 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.5 m-85 -63.46 -60.55 3.22 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.185 -0.947 . . . . 0.0 110.375 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.65 -35.88 1.24 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.483 -0.76 . . . . 0.0 110.671 -179.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.904 ' CD1' HD13 ' A' ' 42' ' ' LEU . 18.3 mm -72.09 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.442 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -43.96 -26.23 0.26 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.23 -0.918 . . . . 0.0 110.14 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -76.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 0.0 110.622 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.595 ' CG2' HG21 ' A' ' 38' ' ' ILE . 2.8 tp -44.82 -44.9 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.756 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.967 HG13 HG22 ' A' ' 33' ' ' VAL . 15.1 t -59.86 -49.34 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.132 -0.98 . . . . 0.0 110.398 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.2 tt0 -42.65 -46.9 5.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.222 -0.924 . . . . 0.0 110.492 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.2 mtt180 -42.91 -50.25 5.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.163 -0.961 . . . . 0.0 110.31 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.616 ' CG ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -47.99 -59.06 3.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 110.156 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.23 -49.3 64.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.913 . . . . 0.0 110.086 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.33 -32.02 1.2 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.463 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -27.8 27.72 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.485 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 117.28 47.12 0.48 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -103.69 152.68 21.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 mtmt -145.04 63.24 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.49 149.84 38.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 0.0 110.127 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 m -66.32 -7.58 19.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.283 -0.886 . . . . 0.0 110.316 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -34.63 46.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.239 -0.913 . . . . 0.0 110.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.967 HG22 HG13 ' A' ' 20' ' ' VAL . 12.0 p -120.03 145.72 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.575 ' H ' HD13 ' A' ' 38' ' ' ILE . 0.4 OUTLIER 172.0 -175.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.245 -0.91 . . . . 0.0 109.987 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' ' OG ' ' A' ' 34' ' ' SER . 33.5 t80 -68.27 -64.07 0.94 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 0.0 110.092 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -68.9 -14.75 63.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.4 t -78.83 -63.96 1.29 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.986 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 20' ' ' VAL . 1.1 mp -61.26 -40.88 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.219 -0.926 . . . . 0.0 109.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -53.69 -41.87 67.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.093 -1.004 . . . . 0.0 109.989 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 44' ' ' GLU . 23.7 m -48.51 -72.02 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.233 -0.917 . . . . 0.0 110.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.584 ' HE2' HG23 ' A' ' 38' ' ' ILE . 5.2 ptt? -51.65 -30.98 23.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.904 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.45 -56.13 9.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.545 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.48 -45.86 90.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.123 -0.985 . . . . 0.0 110.687 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' OE1' HG22 ' A' ' 40' ' ' THR . 1.5 mp0 -56.16 -23.41 34.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.112 -0.992 . . . . 0.0 109.388 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.52 1.27 40.85 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.65 -0.656 . . . . 0.0 109.462 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 1.077 ' O ' HD22 ' A' ' 47' ' ' LEU . . . 55.73 45.04 86.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER 21.21 44.84 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -75.32 -87.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.086 -1.009 . . . . 0.0 109.968 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.5 -18.02 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 0.0 109.768 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CD1' HD21 ' A' ' 42' ' ' LEU . 62.6 t80 -72.03 -53.33 13.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 109.949 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.343 0 O-C-N 121.23 -0.919 . . . . 0.0 110.295 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.0 p30 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.104 0.478 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -43.57 -27.39 0.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.464 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 16' ' ' ILE . 9.0 mm -73.83 -21.98 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 0.0 110.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.51 -33.41 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -71.32 -33.97 70.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.7 mttt -74.01 -49.19 25.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.0 110.386 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG23 HG22 ' A' ' 38' ' ' ILE . 19.0 mm -42.54 -43.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.06 -31.19 68.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' LYS . 10.5 mtpp -63.78 -46.52 84.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 110.304 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' ILE . 17.4 mm -49.05 -58.12 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.845 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.917 HG23 HG13 ' A' ' 38' ' ' ILE . 2.3 t -44.49 -72.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.681 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -38.26 -40.14 0.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.708 -0.62 . . . . 0.0 110.563 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.9 -37.09 78.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.902 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 1.045 ' CD ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.56 -55.87 6.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -0.898 . . . . 0.0 109.727 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -72.99 -25.59 61.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 0.0 109.741 179.585 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.8 -23.07 64.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.084 -1.01 . . . . 0.0 108.546 178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.8 -29.12 16.15 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.778 -0.576 . . . . 0.0 109.813 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 135.86 39.19 0.16 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -56.83 -156.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.229 -1.159 . . . . 0.0 110.4 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -38.8 1.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.373 -0.83 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.9 t -165.94 -166.47 0.93 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.219 -0.926 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 14.64 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 110.475 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.578 ' OD1' HG23 ' A' ' 33' ' ' VAL . 43.1 p-10 -57.02 -18.49 14.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 110.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.045 HG21 ' CD ' ' A' ' 23' ' ' ARG . 88.0 t -91.24 170.93 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -0.862 . . . . 0.0 110.22 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.561 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.2 p 174.34 175.43 0.16 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 39' ' ' SER . 42.3 t80 -47.99 -66.42 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.1 p -41.97 -42.65 2.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.287 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -70.87 -52.21 21.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.917 HG13 HG23 ' A' ' 20' ' ' VAL . 8.7 mm -67.73 -19.59 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.434 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.95 -60.05 2.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.1 -1.0 . . . . 0.0 110.132 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -50.75 -53.78 28.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 111.442 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 4.1 ptt? -45.82 -44.92 14.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 110.7 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -68.03 -54.53 17.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 110.321 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.11 -27.76 55.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -24.48 67.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.984 -1.073 . . . . 0.0 108.733 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.949 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -100.45 -5.15 27.52 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.36 0.6 . . . . 0.0 109.732 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 92.93 -4.28 74.84 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER 77.49 -22.15 0.3 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.456 -1.026 . . . . 0.0 111.273 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -30.8 61.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.949 HG11 ' CD2' ' A' ' 45' ' ' LEU . 58.8 t -59.48 -65.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 0.0 110.242 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' VAL . 75.9 t80 -41.41 -60.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.367 0 O-C-N 121.211 -0.931 . . . . 0.0 110.429 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 30.9 p-10 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.272 0.558 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.54 -11.05 9.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.463 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.9 mm -51.64 -39.27 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 110.242 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 14' ' ' TYR . 35.2 m -47.32 -40.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.923 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.8 t80 -71.99 -29.12 63.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -0.902 . . . . 0.0 110.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.06 -32.61 65.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.122 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.9 mt -70.03 -18.87 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.208 -0.932 . . . . 0.0 110.146 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -46.31 90.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.291 -0.88 . . . . 0.0 110.163 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.1 -24.01 62.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.18 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 21.8 mm -69.66 -49.8 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.191 -0.943 . . . . 0.0 110.177 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.899 HG22 HG13 ' A' ' 38' ' ' ILE . 6.0 t -70.11 -55.59 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 41.2 tt0 -44.87 -30.53 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 110.161 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 5.1 ttt-85 -49.75 -45.86 49.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 2.8 mmt180 -46.45 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.063 -1.023 . . . . 0.0 109.888 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 24.3 ttm-85 -58.94 -37.38 76.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.798 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.01 -39.68 5.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 109.712 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.3 pt-20 -82.98 -21.18 34.02 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 124.1 29.79 1.08 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.83 -165.43 0.63 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -1.169 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -163.46 -168.72 1.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.126 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 60.85 136.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.196 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -85.15 16.08 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 0.0 110.343 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -30.46 46.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.652 HG22 HG13 ' A' ' 20' ' ' VAL . 11.1 p -96.59 153.59 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 155.41 8.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 110.136 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.667 ' HA ' HG21 ' A' ' 20' ' ' VAL . 6.7 t80 -48.09 -48.87 33.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.893 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -65.22 -38.04 89.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.279 -0.888 . . . . 0.0 110.302 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -67.2 -46.17 74.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 110.421 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.899 HG13 HG22 ' A' ' 20' ' ' VAL . 34.0 mm -68.93 -27.55 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.9 . . . . 0.0 110.299 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.434 ' OG ' HG21 ' A' ' 16' ' ' ILE . 28.0 m -74.46 -61.63 1.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 41' ' ' MET . 6.5 t -50.17 -44.61 52.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.385 -0.822 . . . . 0.0 110.832 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.568 ' N ' HG23 ' A' ' 40' ' ' THR . 2.8 ptt? -62.57 -31.19 71.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.024 -1.048 . . . . 0.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.03 -62.59 1.33 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.76 -38.54 91.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' THR . 3.2 mm-40 -56.44 -27.2 56.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.173 -0.954 . . . . 0.0 109.001 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.53 -11.09 20.4 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.876 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 78.74 30.16 49.26 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.876 HD23 ' C ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER 36.87 28.65 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.625 -0.926 . . . . 0.0 111.031 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -74.53 -93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 45' ' ' LEU . 23.4 m -44.9 -26.16 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.5 t80 -55.63 -55.68 29.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.073 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.305 -1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 110.555 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.77 -28.27 47.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.209 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.3 mm -55.22 -50.23 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.251 -0.905 . . . . 0.0 110.262 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' ILE . 48.9 t -41.55 -48.6 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.425 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.06 -38.85 69.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.218 -0.926 . . . . 0.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 23.3 ttpp -53.33 -30.89 41.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.231 -0.918 . . . . 0.0 110.451 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.5 mt -79.99 -40.47 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 0.0 110.089 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.78 -46.4 50.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 10.4 pttt -74.97 -23.39 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 46.5 mt -77.6 -35.13 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.1 t -63.19 -48.98 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.66 -45.59 6.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 110.358 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.55 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 1.5 mpt_? -43.65 -44.08 6.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.284 -0.885 . . . . 0.0 110.277 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' HD2' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -43.16 -58.78 2.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 110.258 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -72.88 -35.63 67.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.139 -0.976 . . . . 0.0 109.843 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -52.43 -30.01 27.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.173 -0.954 . . . . 0.0 109.639 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.2 pt-20 -92.19 -21.56 20.3 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 115.71 54.73 0.36 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . . . -50.91 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -1.152 . . . . 0.0 110.239 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.94 -43.9 0.47 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.63 149.61 21.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 31' ' ' THR . 92.5 m -76.76 2.49 14.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.933 . . . . 0.0 110.177 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.76 -15.31 7.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG2' ' HG2' ' A' ' 23' ' ' ARG . 25.3 t -55.54 141.09 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -0.901 . . . . 0.0 110.477 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 2.8 t 170.05 139.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 20' ' ' VAL . 1.3 t80 -42.66 -45.13 4.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.12 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' THR . 49.2 m -67.04 -31.74 72.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.903 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' SER . 7.5 t -72.92 -54.35 8.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.277 -0.89 . . . . 0.0 109.88 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.823 HG13 HG13 ' A' ' 20' ' ' VAL . 31.4 mm -61.44 -24.96 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.867 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 40' ' ' THR . 82.6 p -75.01 -63.35 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 41' ' ' MET . 7.1 t -50.07 -45.34 52.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.74 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.586 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER -63.75 -33.24 75.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.974 -1.079 . . . . 0.0 110.24 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 47' ' ' LEU . 6.9 tp -68.85 -47.54 65.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -20.83 6.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -67.5 -29.83 69.36 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' CG1' ' A' ' 49' ' ' VAL . 1.3 mt -101.13 -11.31 19.68 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.29 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.635 ' O ' HD12 ' A' ' 47' ' ' LEU . . . 59.12 32.36 71.18 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 68.82 -47.95 0.57 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.278 -1.13 . . . . 0.0 111.264 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -44.88 -71.94 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.891 -1.131 . . . . 0.0 110.752 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.744 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 t -54.41 -36.76 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.118 -0.989 . . . . 0.0 110.078 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 50' ' ' TYR . 6.3 t80 -62.35 -45.12 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.954 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.305 -1.332 0 O-C-N 121.336 -0.853 . . . . 0.0 110.503 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.2 m-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.295 0.569 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -27.15 66.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.309 -0.87 . . . . 0.0 110.252 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 16' ' ' ILE . 1.3 pt -57.18 -30.61 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 110.486 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 48.3 t -45.94 -25.22 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 110.118 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -54.76 8.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.87 . . . . 0.0 110.466 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.7 ptmt -73.96 -40.35 63.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.806 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 12' ' ' ILE . 7.0 mt -68.03 -11.79 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.948 -1.095 . . . . 0.0 110.133 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.03 75.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.298 -0.876 . . . . 0.0 110.295 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -74.32 -23.84 59.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.897 . . . . 0.0 110.232 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 25.2 mm -60.38 -47.96 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.74 HG13 HG12 ' A' ' 33' ' ' VAL . 25.0 t -60.2 -72.54 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.088 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 20' ' ' VAL . 2.0 mt-10 -41.37 -44.07 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.485 -0.76 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' ARG . 21.3 ttt180 -52.18 -46.58 65.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.954 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.627 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 4.9 mtt180 -43.78 -54.67 4.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.9 ttm180 -65.85 -53.59 37.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.82 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -27.67 1.05 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.102 -0.999 . . . . 0.0 108.974 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.17 -21.02 27.76 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.589 -0.694 . . . . 0.0 110.233 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.66 -26.74 2.51 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' C ' ' A' ' 23' ' ' ARG . . . -45.1 145.47 1.03 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.155 -1.203 . . . . 0.0 109.993 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.76 -161.04 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 110.448 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p 59.57 168.43 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 0.0 110.255 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.86 38.37 0.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -94.43 -18.0 21.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -0.931 . . . . 0.0 110.04 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG12 HG13 ' A' ' 20' ' ' VAL . 23.2 t -93.25 140.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 12.1 t 174.32 148.91 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.517 -0.739 . . . . 0.0 109.644 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.633 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 6.4 t80 -45.05 -56.83 4.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.01 -1.057 . . . . 0.0 109.799 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -35.13 16.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.905 . . . . 0.0 109.872 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -79.96 -50.33 10.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.442 -0.786 . . . . 0.0 110.01 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.587 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.6 mm -64.09 -31.29 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 109.983 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 2.5 p -74.52 -47.7 31.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 109.981 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -50.27 -54.39 21.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.266 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.52 -30.46 69.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.35 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' SD ' ' A' ' 41' ' ' MET . 1.5 mt -68.54 -51.16 45.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -45.23 69.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 111.053 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 41' ' ' MET . 9.0 pt-20 -53.1 -24.16 9.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.042 -1.036 . . . . 0.0 108.777 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -100.38 -19.05 16.46 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' LEU . . . 83.01 17.03 68.29 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 7.3 tp 53.33 18.28 1.26 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -1.196 . . . . 0.0 110.317 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 5.0 ttm180 -74.22 -93.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.118 -0.989 . . . . 0.0 110.889 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.743 HG22 HD11 ' A' ' 45' ' ' LEU . 10.2 m -41.0 -35.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.559 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 13.4 t80 -54.28 -58.26 8.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.371 -0.831 . . . . 0.0 110.271 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.306 -1.29 0 O-C-N 121.081 -1.012 . . . . 0.0 110.348 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 m-20 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.346 0.593 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' OE1' ' CA ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -63.51 -10.02 15.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.32 -0.862 . . . . 0.0 110.261 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.7 mm -51.56 -46.74 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.131 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 14' ' ' TYR . 28.9 m -45.09 -42.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 110.108 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.562 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 t80 -72.26 -38.05 68.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -30.9 67.84 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.428 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 12' ' ' ILE . 8.6 mt -76.36 -38.37 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.198 -0.939 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -49.4 -35.47 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.157 -0.964 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -75.18 -22.29 58.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.0 110.262 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.509 HD11 ' OH ' ' A' ' 50' ' ' TYR . 31.2 mm -69.64 -51.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.149 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.954 HG22 HG13 ' A' ' 38' ' ' ILE . 12.7 t -63.27 -45.44 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.103 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.23 -36.24 79.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.0 110.508 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 4.5 mtt180 -42.86 -48.12 5.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.165 -0.959 . . . . 0.0 110.256 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.54 -48.04 7.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.348 -0.845 . . . . 0.0 109.615 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.641 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 mtp180 -73.64 -47.09 42.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.278 -0.889 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -14.77 7.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.33 -0.856 . . . . 0.0 109.772 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -122.2 -1.43 9.23 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.315 -0.866 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 140.74 63.11 0.03 OUTLIER Glycine 0 N--CA 1.492 2.418 0 C-N-CA 119.377 -1.392 . . . . 0.0 109.913 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.641 ' HB2' ' HA ' ' A' ' 24' ' ' ARG . . . -41.85 139.81 1.16 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -1.121 . . . . 0.0 110.659 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.8 tmtt? -179.59 -62.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.231 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 p -106.68 40.01 1.72 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.43 -0.794 . . . . 0.0 109.201 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 23' ' ' ARG . 8.6 t -102.28 12.72 36.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.643 -0.661 . . . . 0.0 110.127 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 t0 -46.57 -24.53 0.54 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.359 -0.838 . . . . 0.0 109.837 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 32' ' ' ASP . 6.4 m -57.28 -157.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.157 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -169.18 -158.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.385 -0.822 . . . . 0.0 110.205 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 39' ' ' SER . 1.0 OUTLIER -66.84 -69.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 110.094 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -33.7 2.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.165 -0.959 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -72.72 -63.74 1.1 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.293 -0.879 . . . . 0.0 110.013 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.954 HG13 HG22 ' A' ' 20' ' ' VAL . 17.2 mm -67.07 -7.79 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 110.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -69.5 -69.8 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 110.354 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 44' ' ' GLU . 4.6 m -41.89 -30.51 0.26 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.35 -0.844 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -64.71 0.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.318 -0.864 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -53.38 -55.85 21.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.913 . . . . 0.0 110.348 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.69 -39.01 64.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.199 -0.938 . . . . 0.0 110.332 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HG2' HG22 ' A' ' 40' ' ' THR . 19.0 mm-40 -61.69 -20.58 63.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.0 108.711 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.712 HD23 ' HB ' ' A' ' 49' ' ' VAL . 1.3 mp -100.44 -5.29 27.34 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.308 0.575 . . . . 0.0 109.795 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 76.2 6.71 83.75 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.1 mt 77.12 -15.27 0.76 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.757 -0.849 . . . . 0.0 111.031 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -74.78 -79.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.894 -1.129 . . . . 0.0 110.109 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.712 ' HB ' HD23 ' A' ' 45' ' ' LEU . 24.9 t -44.8 -37.51 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.872 . . . . 0.0 110.09 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.884 ' CE2' HD21 ' A' ' 42' ' ' LEU . 7.5 t80 -43.38 -58.7 2.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 110.125 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.304 -1.381 0 O-C-N 121.218 -0.926 . . . . 0.0 110.626 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 t0 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.18 0.514 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.2 80.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.795 . . . . 0.0 110.337 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.48 -25.84 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.165 -0.959 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.829 HG12 ' CZ ' ' A' ' 35' ' ' PHE . 34.3 m -71.74 -28.63 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.78 -52.12 19.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -52.39 58.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.421 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.95 ' O ' HG22 ' A' ' 20' ' ' VAL . 44.8 mm -60.46 -37.64 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.609 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 m-20 -46.0 -23.48 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 110.673 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -74.6 -63.69 1.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 0.0 110.144 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.649 HD13 ' OH ' ' A' ' 50' ' ' TYR . 2.0 mp -48.78 -52.4 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.164 -0.96 . . . . 0.0 109.752 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -52.46 -66.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.12 -0.987 . . . . 0.0 110.497 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.736 ' H ' HG23 ' A' ' 20' ' ' VAL . 4.7 tp10 -50.27 -43.97 53.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.279 -0.888 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -47.4 -51.49 19.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 0.0 110.248 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 20.5 mmm180 -48.21 -54.42 13.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.179 -0.951 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -73.27 -39.18 65.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.0 109.59 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -37.76 7.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.271 -0.893 . . . . 0.0 109.311 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -80.48 -20.74 43.02 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 110.208 179.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' HG3' ' A' ' 26' ' ' GLU . . . 118.25 35.09 1.05 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -66.29 -176.45 0.43 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.134 -1.215 . . . . 0.0 110.041 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' SER . 2.8 pttt -160.47 -162.28 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.198 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 62.16 146.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -84.51 13.19 5.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -22.11 60.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.1 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.54 140.08 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 1.8 p -176.91 145.12 0.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.829 ' CZ ' HG12 ' A' ' 13' ' ' VAL . 39.5 t80 -43.05 -36.96 1.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -44.11 42.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 109.997 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -62.65 -53.1 59.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.79 HG13 HG12 ' A' ' 20' ' ' VAL . 10.2 mm -55.09 -37.51 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.328 -0.857 . . . . 0.0 110.241 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 m -65.71 -33.55 76.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 109.42 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.655 HG22 ' OE2' ' A' ' 44' ' ' GLU . 6.9 m -50.93 -69.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.526 -0.734 . . . . 0.0 110.761 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.94 -34.87 43.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 110.4 -179.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -68.28 -62.51 1.36 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.724 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 0.81 8.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.991 -1.068 . . . . 0.0 111.066 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.655 ' OE2' HG22 ' A' ' 40' ' ' THR . 8.2 mt-10 -77.05 -38.1 53.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.862 -1.149 . . . . 0.0 108.203 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.043 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.29 -5.35 25.57 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.237 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.847 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 99.34 32.55 5.73 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.962 HD12 ' CD2' ' A' ' 42' ' ' LEU . 2.4 tt 40.99 25.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.094 -1.239 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' GLY . 4.9 ttp180 -75.0 -75.28 0.17 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.946 -1.096 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -53.49 -38.96 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.116 -0.99 . . . . 0.0 110.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.971 ' CE2' HD11 ' A' ' 42' ' ' LEU . 8.1 t80 -47.52 -55.01 10.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 110.03 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.304 -1.386 0 O-C-N 121.263 -0.898 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.589 ' OD2' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.274 0.559 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -58.34 -15.38 10.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.259 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.599 HG21 HD21 ' A' ' 47' ' ' LEU . 8.5 pt -57.16 -20.95 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.0 110.214 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.605 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 4.8 p -50.65 -43.73 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.233 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.44 -42.09 65.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 110.616 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -74.28 -46.37 41.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.222 -0.924 . . . . 0.0 110.897 -179.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.531 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 48.6 mt -59.9 -33.16 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 110.414 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -64.31 0.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.179 -0.95 . . . . 0.0 110.585 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -57.24 -23.11 45.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.202 -0.936 . . . . 0.0 110.478 -179.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 29.2 mm -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.567 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 38' ' ' ILE . 18.3 t -54.33 -44.94 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.191 -0.943 . . . . 0.0 110.303 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' ARG . 20.7 tt0 -59.75 -58.92 6.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.43 -0.794 . . . . 0.0 111.212 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.22 -50.96 4.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.102 -0.999 . . . . 0.0 110.671 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' HG2' ' OG1' ' A' ' 31' ' ' THR . 0.2 OUTLIER -44.39 -71.52 0.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.976 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.89 -33.38 75.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.032 -1.042 . . . . 0.0 109.244 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -43.96 -35.84 2.21 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.899 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -87.99 -25.0 23.36 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.358 -0.839 . . . . 0.0 109.248 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 58.74 37.29 89.67 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -96.46 31.38 2.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.432 -1.04 . . . . 0.0 111.633 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 4.0 mttp 160.52 -162.76 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.679 -0.638 . . . . 0.0 110.02 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -90.0 38.48 0.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.83 . . . . 0.0 109.341 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.498 ' OG1' ' HG2' ' A' ' 23' ' ' ARG . 15.1 t -89.15 40.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.576 0.703 . . . . 0.0 109.551 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 9.4 t70 -85.31 20.81 1.88 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.447 -0.783 . . . . 0.0 110.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.793 HG11 HD11 ' A' ' 38' ' ' ILE . 2.1 p -55.56 -158.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.492 -0.755 . . . . 0.0 110.216 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.695 ' C ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -158.74 -179.06 7.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.073 -1.017 . . . . 0.0 110.099 -179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' A' ' 13' ' ' VAL . 15.8 t80 -62.78 -55.2 28.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.106 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -42.86 -41.83 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.95 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.49 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -80.04 -49.45 11.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.231 -0.918 . . . . 0.0 110.165 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.793 HD11 HG11 ' A' ' 33' ' ' VAL . 24.9 mm -67.22 -17.72 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 1.2 t -74.42 -69.81 0.43 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.17 -0.956 . . . . 0.0 110.477 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 41' ' ' MET . 7.2 t -41.19 -42.69 2.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.663 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.54 ' N ' HG23 ' A' ' 40' ' ' THR . 5.0 ptm -73.5 -26.67 61.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.412 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.032 HD12 HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -68.02 -52.77 31.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 110.622 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.18 88.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 110.47 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -28.48 67.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.06 -1.025 . . . . 0.0 109.002 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.59 5.68 44.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 58.05 25.84 57.4 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.032 HD23 HD12 ' A' ' 42' ' ' LEU . 0.7 OUTLIER 68.95 2.42 3.55 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.611 -0.935 . . . . 0.0 110.677 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -74.77 -15.85 60.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 110.442 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -43.94 -90.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.504 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 49' ' ' VAL . 7.8 p90 -59.52 -31.55 69.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.785 -1.197 . . . . 0.0 110.14 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.607 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.305 -1.351 0 O-C-N 121.193 -0.942 . . . . 0.0 110.404 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.864 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.263 0.554 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 22.7 tt0 -65.7 -15.68 63.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.256 -0.903 . . . . 0.0 110.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.579 ' CD1' HD21 ' A' ' 47' ' ' LEU . 38.6 mt -66.18 -31.01 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.188 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 10' ' ' ASP . 6.1 p -45.03 -38.63 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.483 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.0 t80 -72.06 -40.59 68.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LYS . 38.0 mtpt -68.14 -41.43 81.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.238 -0.914 . . . . 0.0 110.256 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 HG12 ' CD1' ' A' ' 42' ' ' LEU . 44.1 mt -44.17 -46.6 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -20.87 61.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 110.433 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -75.17 -26.33 59.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.206 -0.934 . . . . 0.0 110.441 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 mt -76.94 -49.39 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 110.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 34' ' ' SER . 11.8 t -58.91 -49.27 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 110.071 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 3.6 tt0 -59.55 -55.79 30.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 110.619 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 1.9 ttt-85 -48.25 -48.99 34.96 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.096 -1.002 . . . . 0.0 110.383 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CB ' ' A' ' 31' ' ' THR . 2.4 mpt_? -51.69 -68.63 0.15 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 110.178 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HD3' ' HB2' ' A' ' 32' ' ' ASP . 39.6 ttp180 -64.69 -30.61 71.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.95 -48.67 16.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.219 -0.926 . . . . 0.0 108.682 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.04 -18.59 49.72 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.368 -0.833 . . . . 0.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 62.59 26.24 68.14 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . -111.39 40.34 2.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.393 -1.063 . . . . 0.0 110.804 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 179.57 161.67 0.86 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.954 . . . . 0.0 110.549 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 m -87.84 40.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.277 -0.889 . . . . 0.0 109.889 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.533 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -105.87 44.16 1.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.398 -0.814 . . . . 0.0 109.518 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 8.7 p-10 -82.92 12.79 4.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 110.166 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.038 HG21 HD13 ' A' ' 38' ' ' ILE . 21.1 m -57.0 -151.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.397 -0.814 . . . . 0.0 110.522 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.785 ' HA ' HG11 ' A' ' 20' ' ' VAL . 9.1 m -147.59 -154.46 0.55 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.35 -0.844 . . . . 0.0 110.094 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' O ' ' CB ' ' A' ' 39' ' ' SER . 34.1 t80 -71.45 -64.18 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.4 t -39.6 -40.39 0.88 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.0 m -72.59 -76.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.151 -0.968 . . . . 0.0 110.11 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.68 -34.32 16.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 31.2 t -55.95 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 110.25 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 24.4 m -41.96 -44.36 3.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.387 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -58.27 4.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.295 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' CD1' HG12 ' A' ' 16' ' ' ILE . 12.8 mt -47.18 -61.52 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.499 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -41.71 90.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.865 . . . . 0.0 110.646 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -60.81 -19.09 58.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.939 -1.101 . . . . 0.0 108.93 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 HD23 HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -100.32 -4.8 28.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.772 -0.58 . . . . 0.0 109.943 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 77.77 10.74 86.03 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 12' ' ' ILE . 1.6 tp 77.9 -36.89 0.22 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.55 -0.971 . . . . 0.0 111.215 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.2 tmm_? -73.85 -65.56 0.82 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.831 -1.168 . . . . 0.0 110.355 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG12 HD23 ' A' ' 45' ' ' LEU . 24.6 t -42.06 -29.27 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.339 -0.851 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.447 ' HB3' ' O ' ' A' ' 47' ' ' LEU . 15.6 t80 -45.06 -59.87 2.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.36 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 O-C-N 121.314 -0.866 . . . . 0.0 110.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -137.12 93.04 2.78 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.278 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.6 t -109.09 82.04 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 17.1 mt-30 48.01 -162.44 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.223 -0.923 . . . . 0.0 110.093 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 61.01 124.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 110.135 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -65.91 149.39 50.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 110.237 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.9 t -84.72 111.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.283 -0.886 . . . . 0.0 110.136 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -123.35 -169.23 1.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.203 -0.936 . . . . 0.0 110.381 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -59.9 78.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -0.891 . . . . 0.0 110.261 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' SER . 11.7 tp10 -42.96 -26.79 0.15 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.209 -0.932 . . . . 0.0 110.156 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 12' ' ' ILE . 14.5 mm -51.93 -21.05 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 14' ' ' TYR . 11.4 p -46.7 -40.59 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.887 . . . . 0.0 110.039 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 11.3 t80 -69.45 -28.99 66.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.249 -0.907 . . . . 0.0 109.984 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -50.41 47.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.317 -0.864 . . . . 0.0 110.09 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 42' ' ' LEU . 17.5 mt -66.2 -33.9 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.279 -0.888 . . . . 0.0 110.114 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -59.05 -37.77 77.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 110.112 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 14' ' ' TYR . 40.6 mtpt -68.28 -36.83 79.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.227 -0.92 . . . . 0.0 110.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.495 HG13 ' OH ' ' A' ' 50' ' ' TYR . 24.3 mm -63.86 -58.7 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.257 -0.902 . . . . 0.0 110.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.798 HG22 ' CG1' ' A' ' 38' ' ' ILE . 21.8 t -47.03 -53.5 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.268 -0.895 . . . . 0.0 109.958 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -46.73 70.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.206 -0.934 . . . . 0.0 110.015 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -50.31 -27.21 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.28 -0.888 . . . . 0.0 110.091 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 29.1 mmm-85 -61.46 -57.98 10.02 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.295 -0.878 . . . . 0.0 110.094 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 2.2 mpp_? -68.93 -48.15 63.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.987 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.84 -34.45 1.61 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.427 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.23 -28.09 29.47 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.424 -0.798 . . . . 0.0 109.933 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 121.92 27.5 1.71 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -50.54 173.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.284 -1.127 . . . . 0.0 110.098 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.56 172.46 12.93 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.63 146.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.6 t -89.2 32.42 0.84 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.204 -0.935 . . . . 0.0 110.223 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -84.5 -22.55 30.17 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.216 -0.927 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.91 139.54 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.204 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 37' ' ' SER . 0.6 OUTLIER -175.69 151.29 1.14 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.169 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.585 ' HA ' HG21 ' A' ' 20' ' ' VAL . 84.2 t80 -43.39 -66.4 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.296 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 p -49.62 -40.06 37.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 110.34 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 34' ' ' SER . 15.1 m -62.84 -57.7 9.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.798 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.0 mm -62.61 -19.91 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.267 -0.896 . . . . 0.0 110.4 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -74.05 -52.7 11.88 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.199 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 92.7 m -48.98 -51.37 30.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 3.5 ptm -57.87 -29.54 65.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.258 -0.901 . . . . 0.0 110.187 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -68.49 -46.35 69.93 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.216 -0.928 . . . . 0.0 110.391 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.15 -27.33 13.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -0.902 . . . . 0.0 110.614 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.0 OUTLIER -63.32 -31.0 72.04 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.595 HD23 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -97.03 0.25 48.39 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.208 0.528 . . . . 0.0 109.776 179.437 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.43 42.22 25.94 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 50' ' ' TYR . 10.9 tp 47.37 22.69 0.29 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.283 -1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.8 tpm_? -74.68 -120.74 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.221 -0.924 . . . . 0.0 110.254 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.595 ' CG2' HD23 ' A' ' 45' ' ' LEU . 16.9 m -41.15 -27.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.147 -0.971 . . . . 0.0 110.123 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 1.008 ' CD2' HD21 ' A' ' 42' ' ' LEU . 29.2 t80 -55.93 -38.78 70.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.312 -0.867 . . . . 0.0 109.823 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.65 -13.54 62.17 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.256 -0.902 . . . . 0.0 110.42 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -72.12 -32.72 67.2 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.9 . . . . 0.0 110.132 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -45.43 -32.9 2.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.174 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.468 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -83.89 -25.67 30.03 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.259 -0.901 . . . . 0.0 110.29 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' O ' ' A' ' 54' ' ' MET . 1.8 mt-10 45.22 -170.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.235 -0.915 . . . . 0.0 110.188 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.325 0.583 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -80.63 176.84 9.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.468 -0.77 . . . . 0.0 110.167 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 11.6 t 60.53 123.47 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 110.223 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.72 166.96 6.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.311 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -166.93 90.13 0.37 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.228 -0.92 . . . . 0.0 110.249 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -143.07 56.05 1.38 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.211 -0.93 . . . . 0.0 110.15 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.1 p -157.5 98.21 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -0.894 . . . . 0.0 110.258 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLU . 3.0 m -148.13 130.98 16.11 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.361 -0.837 . . . . 0.0 110.065 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.589 ' HB2' HG23 ' A' ' 13' ' ' VAL . 24.3 p30 -60.02 78.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.228 -0.92 . . . . 0.0 110.239 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -58.01 -36.93 73.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.244 -0.91 . . . . 0.0 110.166 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' O ' HG12 ' A' ' 16' ' ' ILE . 13.9 mm -57.54 -45.31 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -0.901 . . . . 0.0 110.161 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.589 HG23 ' HB2' ' A' ' 10' ' ' ASP . 38.6 t -43.15 -53.18 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.318 -0.864 . . . . 0.0 110.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -72.01 -25.42 61.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -33.8 68.46 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.212 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.816 HD12 HD13 ' A' ' 42' ' ' LEU . 22.8 mm -73.36 -45.03 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.157 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 3.8 m120 -45.59 -31.33 1.82 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -63.47 -54.22 39.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.79 -38.34 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.331 -0.855 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.869 HG22 HG13 ' A' ' 38' ' ' ILE . 21.9 t -69.51 -60.83 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 3.3 mt-10 -43.94 -31.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.219 -0.926 . . . . 0.0 110.244 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -38.75 55.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.258 -0.901 . . . . 0.0 110.15 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.814 ' HG3' HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -53.71 -71.23 0.08 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.083 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -57.77 -46.01 85.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.979 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -45.07 -36.86 3.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.067 -1.02 . . . . 0.0 109.313 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -29.99 34.88 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.41 -0.807 . . . . 0.0 110.025 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.89 34.5 0.47 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.52 -170.1 1.68 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.18 -1.188 . . . . 0.0 110.159 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.46 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.275 -0.89 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.7 m -56.39 149.83 16.05 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.21 -0.931 . . . . 0.0 110.15 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 31' ' ' THR . 96.4 m -82.22 10.08 7.53 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.323 -0.861 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.27 2.11 16.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.347 -0.845 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.814 HG21 ' HG3' ' A' ' 23' ' ' ARG . 40.2 t -121.92 149.67 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 110.146 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.13 151.51 0.19 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.358 -0.839 . . . . 0.0 110.183 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' HA ' HG21 ' A' ' 20' ' ' VAL . 26.5 t80 -47.72 -58.67 4.02 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.179 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -32.73 68.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.217 -0.927 . . . . 0.0 110.343 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' MET . 1.5 t -67.8 -55.42 13.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.869 HG13 HG22 ' A' ' 20' ' ' VAL . 15.2 mm -64.12 -50.8 75.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 110.332 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.537 ' CB ' HG21 ' A' ' 16' ' ' ILE . 2.1 p -55.48 -53.74 52.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.221 -0.924 . . . . 0.0 110.427 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.464 ' N ' ' OG ' ' A' ' 39' ' ' SER . 6.1 m -48.96 -56.32 9.23 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 110.526 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.541 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.8 ptt? -66.34 -23.17 66.31 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.925 . . . . 0.0 110.494 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.816 HD13 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.26 -53.36 25.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.124 -0.985 . . . . 0.0 110.558 -179.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD23 ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.19 -44.4 92.11 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.143 -0.973 . . . . 0.0 110.607 -179.683 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -57.76 -21.36 41.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.129 -0.982 . . . . 0.0 109.066 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.063 HD13 HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -100.5 -7.15 24.5 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.676 -0.64 . . . . 0.0 110.037 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 68.74 33.01 74.86 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 73.24 -3.22 2.51 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.393 -1.063 . . . . 0.0 110.778 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -75.08 1.78 12.29 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.065 -1.022 . . . . 0.0 110.369 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.063 HG12 HD13 ' A' ' 45' ' ' LEU . 10.8 m -56.21 -113.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.207 -0.933 . . . . 0.0 110.512 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CD2' HG23 ' A' ' 49' ' ' VAL . 11.2 p90 -40.74 -28.4 0.07 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.07 -1.019 . . . . 0.0 110.444 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.46 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -63.66 -30.85 71.91 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.102 -0.999 . . . . 0.0 110.26 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . -74.04 -35.6 64.34 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 110.073 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -61.5 -59.46 5.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 110.448 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.53 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 8.5 ptm -62.43 -37.9 87.65 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.959 . . . . 0.0 110.306 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 54' ' ' MET . 7.3 pt-20 38.8 -160.7 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.494 -0.754 . . . . 0.0 110.604 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' OXT' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.234 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.158 0.504 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -170.53 -172.08 1.17 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.301 -0.874 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 4' ' ' VAL . 53.7 t -99.62 6.42 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.277 -0.889 . . . . 0.0 110.12 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' VAL . 53.7 mt-30 58.98 157.11 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 54.37 89.22 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 110.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 35.4 t80 -160.62 50.94 0.28 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.094 -1.004 . . . . 0.0 110.271 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 p -176.81 130.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 110.286 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -150.8 140.77 22.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.24 71.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.882 . . . . 0.0 110.25 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -71.14 -6.05 36.37 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.273 -0.892 . . . . 0.0 110.338 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.4 ' O ' ' CG1' ' A' ' 16' ' ' ILE . 1.4 pt -64.78 -15.51 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.284 -0.885 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 41.8 t -60.35 -66.09 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -0.928 . . . . 0.0 110.198 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -31.31 71.1 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.31 -0.869 . . . . 0.0 110.326 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -54.8 7.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.248 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 42' ' ' LEU . 20.9 mm -61.43 -45.5 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 110.119 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -47.2 -41.72 18.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.342 -0.848 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -58.07 -36.64 73.11 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.235 -0.916 . . . . 0.0 110.264 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.529 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 38.5 mm -70.74 -47.34 64.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.277 -0.89 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.927 HG22 HG13 ' A' ' 38' ' ' ILE . 9.6 t -60.34 -46.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.286 -0.884 . . . . 0.0 110.205 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' OE2' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -51.67 -57.77 8.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 110.186 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -44.76 -46.77 10.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -0.905 . . . . 0.0 110.098 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.667 ' HB2' HG11 ' A' ' 33' ' ' VAL . 9.0 mmt180 -52.55 -67.08 0.28 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.917 . . . . 0.0 110.2 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -60.37 -44.63 95.43 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 110.175 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' HB2' ' OE2' ' A' ' 21' ' ' GLU . . . -43.68 -43.45 5.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.474 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.11 -20.09 26.15 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.399 -0.813 . . . . 0.0 110.167 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 34.53 59.42 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.483 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -97.01 40.22 1.15 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -1.137 . . . . 0.0 110.092 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER 177.37 32.03 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.618 -0.676 . . . . 0.0 109.91 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.36 -170.56 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.223 -0.923 . . . . 0.0 110.038 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.4 p -88.17 23.08 2.23 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.127 -0.983 . . . . 0.0 110.152 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -20.25 38.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.278 -0.889 . . . . 0.0 110.383 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.667 HG11 ' HB2' ' A' ' 23' ' ' ARG . 42.0 t -65.75 151.46 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.162 -0.961 . . . . 0.0 110.313 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 179.09 148.05 0.21 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.255 -0.903 . . . . 0.0 110.162 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.596 ' HA ' HG21 ' A' ' 20' ' ' VAL . 35.4 t80 -42.91 -61.44 1.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 40' ' ' THR . 60.1 p -46.91 -34.64 5.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.272 -0.893 . . . . 0.0 110.306 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -80.03 -42.88 22.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.277 -0.889 . . . . 0.0 110.261 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.927 HG13 HG22 ' A' ' 20' ' ' VAL . 27.4 mm -74.13 -37.63 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.133 -0.979 . . . . 0.0 110.134 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.7 t -74.42 -48.73 25.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.309 -0.869 . . . . 0.0 110.122 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 36' ' ' SER . 6.3 m -50.22 -47.9 54.66 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.365 -0.835 . . . . 0.0 110.639 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -73.69 -32.64 64.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.989 . . . . 0.0 110.317 -179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.093 HD21 ' CD1' ' A' ' 47' ' ' LEU . 6.1 tt -66.74 -50.76 61.71 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.244 -0.91 . . . . 0.0 110.592 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.67 -7.38 44.06 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.064 -1.023 . . . . 0.0 110.613 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -33.02 56.92 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.7 OUTLIER -101.76 -3.49 28.01 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.882 179.16 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 78.01 28.76 55.84 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.093 ' CD1' HD21 ' A' ' 42' ' ' LEU . 0.5 OUTLIER 50.69 14.73 0.19 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.129 -1.218 . . . . 0.0 111.651 179.686 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.81 -73.27 0.27 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.719 -1.238 . . . . 0.0 110.616 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 21.5 t -49.92 -34.22 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.331 -0.856 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 36.9 t80 -44.65 -50.79 9.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.228 -0.92 . . . . 0.0 110.176 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -11.91 29.6 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.155 -0.966 . . . . 0.0 110.477 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -78.3 -55.97 4.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.278 -0.889 . . . . 0.0 110.301 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -83.49 16.83 2.41 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.33 -0.856 . . . . 0.0 110.6 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -29.99 48.62 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 110.362 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.44 -165.6 0.81 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.148 -0.97 . . . . 0.0 110.235 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.357 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.346 0.593 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.1 ttpm? 56.65 73.25 0.46 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.213 -0.929 . . . . 0.0 110.164 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 11.7 t 60.88 12.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.284 -0.885 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 31.1 mt-30 54.86 164.65 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.078 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 175.47 48.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.107 -0.995 . . . . 0.0 110.231 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 47.84 73.88 0.19 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 110.161 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.8 m -130.32 58.24 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.205 -0.934 . . . . 0.0 110.153 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -152.88 -174.46 4.94 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.279 -0.888 . . . . 0.0 110.11 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.49 77.49 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.281 -0.887 . . . . 0.0 110.152 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' SER . 10.8 mt-10 -70.85 -10.47 59.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.267 -0.896 . . . . 0.0 110.462 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 47' ' ' LEU . 6.4 mt -61.8 -26.55 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.197 -0.939 . . . . 0.0 110.255 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.8 t -45.34 -50.97 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.203 -0.936 . . . . 0.0 110.056 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 3.0 t80 -69.49 -24.71 63.81 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -0.896 . . . . 0.0 110.198 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -69.46 -54.88 12.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 110.368 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 39' ' ' SER . 54.5 mt -75.34 -25.01 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.215 -0.928 . . . . 0.0 110.289 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -65.0 -38.2 90.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' CD ' ' O ' ' A' ' 14' ' ' TYR . 12.6 mtpt -67.5 -37.3 82.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.177 -0.952 . . . . 0.0 110.067 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.851 HD11 ' CE2' ' A' ' 50' ' ' TYR . 19.3 mt -53.96 -44.61 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.935 HG22 HG13 ' A' ' 38' ' ' ILE . 4.3 t -68.62 -49.45 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.165 -0.959 . . . . 0.0 110.134 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.28 -29.39 70.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.7 ttm-85 -44.4 -55.65 4.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.3 -0.875 . . . . 0.0 110.475 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB3' ' CB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.17 -45.0 5.39 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.258 -0.901 . . . . 0.0 110.03 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.689 ' HG3' ' HB2' ' A' ' 28' ' ' ALA . 21.4 ttm-85 -70.27 -58.14 4.09 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.21 -0.932 . . . . 0.0 109.892 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -47.26 -24.11 0.67 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.155 -0.966 . . . . 0.0 109.007 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.98 -16.35 26.66 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.478 -0.764 . . . . 0.0 110.346 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.64 56.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 24' ' ' ARG . . . -36.05 144.54 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.674 -0.898 . . . . 0.0 111.033 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.7 ttmt 179.74 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.39 34.52 4.85 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 121.817 0.818 . . . . 0.0 108.895 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.555 ' CB ' ' HB3' ' A' ' 23' ' ' ARG . 6.0 t -105.02 39.9 1.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.495 0.664 . . . . 0.0 109.767 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.471 ' O ' ' O ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -51.12 -19.69 1.22 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.963 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.821 HG11 HD11 ' A' ' 38' ' ' ILE . 41.9 t -45.8 173.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.031 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HG11 ' A' ' 20' ' ' VAL . 89.4 p -157.65 -175.83 5.6 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.793 -1.192 . . . . 0.0 110.757 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.54 ' HA ' HG21 ' A' ' 20' ' ' VAL . 9.3 t80 -60.13 -62.34 1.94 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.321 -0.862 . . . . 0.0 110.189 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.7 m -42.08 -40.87 2.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.345 -0.847 . . . . 0.0 110.033 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -39.71 28.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.367 -0.833 . . . . 0.0 110.246 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.935 HG13 HG22 ' A' ' 20' ' ' VAL . 26.4 mm -75.87 -25.68 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.174 -0.954 . . . . 0.0 110.654 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.437 ' HA ' HG21 ' A' ' 16' ' ' ILE . 8.4 t -74.28 -62.83 1.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.162 -0.961 . . . . 0.0 110.362 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -50.02 -20.11 0.88 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.254 -0.903 . . . . 0.0 111.011 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 1.4 ptt? -68.62 -48.75 63.27 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.95 -1.094 . . . . 0.0 110.409 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD11 ' HA ' ' A' ' 47' ' ' LEU . 13.5 tp -69.05 -39.86 78.88 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.12 -0.988 . . . . 0.0 109.886 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tp -47.6 -23.27 0.63 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.241 -0.912 . . . . 0.0 110.243 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -66.76 -31.91 72.86 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.823 HD22 HG21 ' A' ' 49' ' ' VAL . 12.2 mt -90.09 -13.81 35.06 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.224 0.535 . . . . 0.0 109.749 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 98.19 1.22 58.24 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER 77.17 -18.99 0.45 Allowed 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -1.106 . . . . 0.0 111.422 179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.519 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 12.7 ptt180 -74.57 -43.38 55.92 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.795 -1.191 . . . . 0.0 110.503 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 HD22 ' A' ' 45' ' ' LEU . 95.2 t -53.28 -71.47 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.199 -0.938 . . . . 0.0 110.382 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.851 ' CE2' HD11 ' A' ' 19' ' ' ILE . 12.2 t80 -43.02 -57.43 2.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.257 -0.902 . . . . 0.0 110.264 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -25.23 66.49 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.296 -0.878 . . . . 0.0 110.477 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 48' ' ' ARG . . . -78.3 -41.82 32.71 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.216 -0.928 . . . . 0.0 110.29 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -61.77 -23.38 66.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.892 . . . . 0.0 110.346 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.406 ' HE3' ' HB2' ' A' ' 54' ' ' MET . 7.8 ptm -99.53 20.92 13.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.31 172.17 19.08 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.294 -0.879 . . . . 0.0 110.273 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' A' ' 56' ' ' ARG . 3.8 ptt85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.18 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.261 0.553 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HB3' ' HG2' ' A' ' 5' ' ' GLN . 1.3 mmpt? -130.93 147.41 52.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.197 -0.939 . . . . 0.0 110.224 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -103.61 3.1 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.253 -0.904 . . . . 0.0 110.149 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.521 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.5 pt20 -66.62 -163.37 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.287 -0.883 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 59.03 45.79 14.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.194 -0.941 . . . . 0.0 110.179 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' C ' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -66.05 -175.72 0.34 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.427 -0.795 . . . . 0.0 110.283 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.6 t 69.44 4.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.391 -0.818 . . . . 0.0 110.349 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 t 43.24 -152.32 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.13 -0.981 . . . . 0.0 110.374 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 9' ' ' SER . 10.3 p30 -31.95 90.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.484 0.659 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 9' ' ' SER . 13.9 tp10 -47.83 -21.28 0.39 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.688 -0.633 . . . . 0.0 110.432 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 16' ' ' ILE . 15.1 mm -51.45 -21.22 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 110.075 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 45.9 t -56.79 -65.81 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.243 -0.91 . . . . 0.0 110.01 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 18.5 t80 -55.78 -22.01 22.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.99 -43.21 79.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.201 -0.937 . . . . 0.0 110.224 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.719 HG21 ' HA ' ' A' ' 39' ' ' SER . 10.7 mt -75.37 -11.51 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.161 -0.962 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -72.04 -47.49 51.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.187 -0.946 . . . . 0.0 110.156 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -29.45 3.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 110.066 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.423 HD11 ' OH ' ' A' ' 50' ' ' TYR . 12.9 mm -76.11 -45.67 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.174 -0.954 . . . . 0.0 110.086 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.938 HG22 HG13 ' A' ' 38' ' ' ILE . 3.8 t -70.5 -51.21 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.912 . . . . 0.0 110.01 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.31 -44.15 5.32 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.356 -0.84 . . . . 0.0 110.309 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -43.18 -54.31 4.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.202 -0.936 . . . . 0.0 110.055 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -47.23 18.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.272 -0.892 . . . . 0.0 109.881 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' GLY . 3.1 ttm180 -71.56 -55.34 8.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.071 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.75 -30.31 0.63 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.263 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.4 27.59 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.736 . . . . 0.0 109.973 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 124.94 41.68 0.36 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.94 174.96 7.06 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.152 -1.205 . . . . 0.0 110.063 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -173.89 -35.19 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 110.382 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' LYS . 8.5 t -43.44 155.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.24 -0.912 . . . . 0.0 110.202 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.54 39.61 0.84 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.205 -0.934 . . . . 0.0 110.253 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.73 -30.22 11.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.19 -0.944 . . . . 0.0 110.116 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 20' ' ' VAL . 7.7 p -106.66 138.98 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.294 -0.879 . . . . 0.0 110.212 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 15.9 m -163.95 145.43 8.9 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.0 110.206 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.7 ' HA ' HG21 ' A' ' 20' ' ' VAL . 44.2 t80 -43.3 -43.71 5.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.27 -0.894 . . . . 0.0 110.169 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -66.89 -32.88 74.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 0.0 110.166 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -77.9 -44.12 27.97 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.415 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.938 HG13 HG22 ' A' ' 20' ' ' VAL . 29.2 mm -70.12 -22.75 24.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.135 -0.978 . . . . 0.0 110.303 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -74.81 -55.22 6.05 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 110.495 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.7 m -50.1 -33.94 20.29 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.25 -0.906 . . . . 0.0 111.028 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -62.9 -28.99 70.43 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.033 -1.042 . . . . 0.0 110.482 -179.566 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.858 HD22 HD23 ' A' ' 47' ' ' LEU . 5.2 mt -68.86 -60.05 2.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.136 -0.978 . . . . 0.0 110.011 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -40.3 64.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.388 -0.82 . . . . 0.0 110.084 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.15 -23.12 63.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.124 -0.985 . . . . 0.0 108.556 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD23 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.45 -6.0 26.25 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.686 179.383 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 73.93 7.31 75.56 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.858 HD23 HD22 ' A' ' 42' ' ' LEU . 12.7 mt 73.58 -24.7 0.2 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.635 -0.92 . . . . 0.0 111.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.5 tpt180 -74.22 -69.17 0.46 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.67 -1.269 . . . . 0.0 110.385 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.866 ' HB ' HD23 ' A' ' 45' ' ' LEU . 61.4 t -41.63 -27.62 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.315 -0.866 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 14.0 t80 -64.28 -50.71 66.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 110.255 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -12.93 11.85 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.308 -0.87 . . . . 0.0 110.2 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -73.47 -54.85 7.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 110.058 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.31 33.58 0.69 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.32 -0.862 . . . . 0.0 110.433 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 24.2 ptm -59.47 -25.33 64.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.193 -0.942 . . . . 0.0 110.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.04 -165.39 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.253 -0.905 . . . . 0.0 110.073 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.205 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.205 0.526 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 104.04 4.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.298 -0.876 . . . . 0.0 110.106 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 4' ' ' VAL . 42.6 t 52.16 90.04 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.268 -0.895 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.657 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 3.9 mm-40 -45.62 170.74 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.274 -0.891 . . . . 0.0 110.222 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 172.6 123.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 12.7 p90 -161.72 65.42 0.26 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 110.306 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.592 HG13 ' N ' ' A' ' 9' ' ' SER . 8.5 p -165.35 -43.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.224 -0.923 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.592 ' N ' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER 171.75 45.25 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.179 -0.951 . . . . 0.0 110.264 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.47 -41.06 89.59 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.31 -0.869 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 3.2 pt-20 -51.72 -21.08 2.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.239 -0.913 . . . . 0.0 110.392 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.7 mm -52.42 -57.76 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.298 -0.876 . . . . 0.0 110.263 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ILE . 91.2 t -43.34 -54.5 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.236 -0.915 . . . . 0.0 110.45 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.52 -23.86 64.59 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.306 -0.871 . . . . 0.0 110.218 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -66.39 -51.59 55.48 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 110.39 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.838 HG12 HD22 ' A' ' 42' ' ' LEU . 7.0 mt -63.6 -18.07 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.218 -0.926 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -71.94 -48.04 48.12 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.141 -0.974 . . . . 0.0 110.409 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 1.9 ptmt -62.59 -26.01 68.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.316 -0.865 . . . . 0.0 110.283 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.611 HD13 HD11 ' A' ' 42' ' ' LEU . 56.1 mt -79.46 -50.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.241 -0.912 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.015 HG22 HG13 ' A' ' 38' ' ' ILE . 14.8 t -67.2 -46.63 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.136 -0.978 . . . . 0.0 110.163 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.76 -40.53 2.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.296 -0.878 . . . . 0.0 110.19 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 7.0 mtp180 -44.78 -41.39 6.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.14 -0.975 . . . . 0.0 109.957 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 1.022 ' HB2' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.74 -51.45 16.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.955 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -70.39 -49.96 43.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.271 -0.893 . . . . 0.0 109.813 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.3 -33.73 1.7 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.315 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -82.61 -28.32 30.88 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.529 -0.732 . . . . 0.0 109.958 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 97.01 20.73 22.82 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.544 -1.423 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . . . -49.7 174.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.223 -1.163 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -144.56 9.93 1.4 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.195 -0.941 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.4 m -111.35 134.29 53.04 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.195 -0.941 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.9 -3.1 14.43 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -0.932 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.66 -31.22 6.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.202 -0.937 . . . . 0.0 110.114 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.022 HG11 ' HB2' ' A' ' 23' ' ' ARG . 41.3 t -99.04 140.8 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.851 . . . . 0.0 110.22 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 6.4 t -176.27 157.81 1.81 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 110.224 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.76 ' HA ' HG21 ' A' ' 20' ' ' VAL . 19.7 t80 -49.33 -61.91 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.239 -0.913 . . . . 0.0 110.156 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -52.64 -33.37 46.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.212 -0.93 . . . . 0.0 110.257 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -72.75 -54.52 8.71 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.161 -0.962 . . . . 0.0 110.215 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.015 HG13 HG22 ' A' ' 20' ' ' VAL . 12.3 mm -59.79 -46.32 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.174 -0.954 . . . . 0.0 110.227 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -46.8 -44.26 19.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 110.099 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 51.9 m -50.05 -69.0 0.13 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.279 -0.888 . . . . 0.0 110.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.529 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 2.3 ptt? -52.48 -23.75 6.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.066 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.838 HD22 HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -68.73 -65.88 0.64 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 110.707 -179.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.64 -27.62 65.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.026 -1.046 . . . . 0.0 111.016 -179.312 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' THR . 15.5 mt-10 -66.81 -36.66 82.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.877 -1.139 . . . . 0.0 108.078 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -101.24 8.15 42.66 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.682 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 59.85 25.11 61.12 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER 33.12 34.52 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 O-C-N 122.05 -0.677 . . . . 0.0 110.932 -179.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 46' ' ' GLY . 28.8 ttt180 -74.53 -15.84 60.85 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.1 -1.0 . . . . 0.0 110.752 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.67 HG23 ' CD2' ' A' ' 50' ' ' TYR . 3.5 m -52.83 -105.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.222 -0.924 . . . . 0.0 110.59 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.67 ' CD2' HG23 ' A' ' 49' ' ' VAL . 2.7 p90 -43.43 -33.59 1.1 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.826 -1.171 . . . . 0.0 111.012 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -64.44 -11.58 34.72 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.008 -1.058 . . . . 0.0 110.667 -179.63 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.67 -52.58 62.74 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.895 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -86.22 -11.12 53.27 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.212 -0.93 . . . . 0.0 110.304 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.524 ' HB2' ' HA ' ' A' ' 51' ' ' GLU . 3.8 mmt -96.35 26.44 4.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -58.64 -174.65 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.209 -0.932 . . . . 0.0 110.176 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.234 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -132.58 166.29 22.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.401 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 5' ' ' GLN . 66.4 t -110.4 139.2 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.37 -0.831 . . . . 0.0 110.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 4' ' ' VAL . 12.1 mt-30 -45.78 170.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.185 -0.947 . . . . 0.0 110.443 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.02 101.94 5.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.943 . . . . 0.0 110.007 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -105.53 -168.78 1.5 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 110.412 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.6 p -69.37 89.76 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.197 -0.94 . . . . 0.0 110.128 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 11' ' ' GLU . 6.5 p -87.85 -158.77 0.48 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.311 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.831 ' O ' HG12 ' A' ' 13' ' ' VAL . 2.7 m-20 -56.28 81.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.344 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -40.91 -31.76 0.19 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.491 -0.755 . . . . 0.0 110.434 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.85 -29.13 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.272 -0.892 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 10' ' ' ASP . 3.1 p -45.48 -49.29 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.201 -0.937 . . . . 0.0 110.237 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.558 ' H ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -72.43 -32.18 66.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.143 -0.973 . . . . 0.0 110.015 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 18' ' ' LYS . 25.1 tttt -56.75 -48.79 77.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.319 -0.863 . . . . 0.0 110.245 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.018 HD13 HD13 ' A' ' 42' ' ' LEU . 46.9 mm -54.17 -46.51 67.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.929 . . . . 0.0 110.229 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 81.6 m-20 -45.68 -53.66 9.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -43.8 -41.34 4.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.266 -0.896 . . . . 0.0 110.401 -179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.431 ' HB ' HG21 ' A' ' 38' ' ' ILE . 26.6 mm -78.09 -32.03 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 110.256 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' CB ' ' A' ' 38' ' ' ILE . 6.3 t -71.09 -48.28 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.241 -0.912 . . . . 0.0 110.19 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.19 -53.92 43.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.322 -0.861 . . . . 0.0 110.359 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -46.2 -49.73 16.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.101 -1.0 . . . . 0.0 110.2 -179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.832 ' HB3' HG21 ' A' ' 33' ' ' VAL . 6.7 mmp_? -48.08 -71.64 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.264 -0.897 . . . . 0.0 110.188 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 25' ' ' ALA . 1.3 mtt-85 -60.58 -45.24 94.69 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.166 -0.959 . . . . 0.0 109.951 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.08 -39.21 4.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.299 -0.876 . . . . 0.0 109.793 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 3.7 mt-10 -91.45 -19.63 22.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.423 -0.798 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.35 40.76 47.85 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -107.11 44.52 1.06 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -1.172 . . . . 0.0 110.198 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER 169.96 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.818 . . . . 0.0 110.064 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -56.58 -160.28 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 110.02 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.5 p -72.41 52.21 0.27 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.009 -1.057 . . . . 0.0 110.347 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -103.7 -29.12 11.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.138 -0.976 . . . . 0.0 110.063 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.832 HG21 ' HB3' ' A' ' 23' ' ' ARG . 92.3 t -71.12 158.44 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.36 -0.837 . . . . 0.0 110.307 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 0.4 OUTLIER 170.81 146.25 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.954 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 40.7 t80 -44.77 -52.63 8.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 110.111 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.7 t -65.08 -28.4 69.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.241 -0.912 . . . . 0.0 110.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.3 t -80.1 -52.97 7.14 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 110.453 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.838 ' CB ' HG22 ' A' ' 20' ' ' VAL . 22.0 mm -67.24 -19.62 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.649 ' HA ' HD12 ' A' ' 16' ' ' ILE . 1.5 m -65.3 -66.57 0.53 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.08 -1.013 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.2 m -50.33 -38.06 39.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 110.459 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.26 -40.28 89.79 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.13 -0.981 . . . . 0.0 110.05 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.018 HD13 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -68.87 -31.26 70.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 110.213 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.25 -45.49 63.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.306 -0.871 . . . . 0.0 110.793 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.545 ' OE2' ' HA ' ' A' ' 41' ' ' MET . 5.6 pt-20 -54.17 -33.26 57.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 108.79 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.75 -9.33 58.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.826 -0.546 . . . . 0.0 109.82 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' LEU . . . 66.18 38.99 94.37 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.675 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.2 mt 41.47 40.84 1.4 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.187 -1.184 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -76.72 -77.71 0.14 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.365 -0.834 . . . . 0.0 112.339 -178.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 50' ' ' TYR . 55.2 t -39.42 -85.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.136 -0.978 . . . . 0.0 111.451 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.675 ' CE1' ' HA ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -33.42 -29.43 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.413 0 O-C-N 121.867 -0.52 . . . . 0.0 111.655 -178.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.11 -32.64 70.77 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.86 -1.15 . . . . 0.0 110.783 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 54' ' ' MET . . . -51.63 -30.51 21.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.136 -0.978 . . . . 0.0 110.103 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 54' ' ' MET . 13.1 mm-40 -57.43 -27.35 62.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.415 -0.803 . . . . 0.0 110.217 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER 62.32 46.01 6.29 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 110.312 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.63 26.92 5.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.086 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.289 -2.046 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.239 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.277 0.561 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER 43.63 73.75 0.14 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 110.269 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.828 HG12 ' HG2' ' A' ' 5' ' ' GLN . 73.6 t -124.25 -53.97 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.282 -0.886 . . . . 0.0 110.235 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.828 ' HG2' HG12 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -179.12 -166.08 0.09 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 110.094 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 7' ' ' TYR . . . -172.03 89.64 0.11 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.282 -0.886 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 6' ' ' ALA . 12.3 t80 56.73 159.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.301 -0.874 . . . . 0.0 110.275 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t -115.77 135.11 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -135.92 -160.58 1.07 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ILE . 9.8 p-10 -58.93 79.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 0.0 110.136 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 2.3 tt0 -66.4 60.45 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.395 -0.816 . . . . 0.0 110.417 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' ASP . 9.5 mm -88.32 -59.95 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.24 -0.912 . . . . 0.0 109.989 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . 35.8 m -47.2 -31.4 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' CE2' ' HE3' ' A' ' 18' ' ' LYS . 23.1 t80 -71.52 -38.9 71.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.313 -0.867 . . . . 0.0 110.193 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -68.56 -32.93 73.2 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.228 -0.92 . . . . 0.0 110.106 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 20' ' ' VAL . 13.8 mt -70.96 -44.2 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.292 -0.88 . . . . 0.0 110.101 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -55.4 -35.39 65.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 110.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HE3' ' CE2' ' A' ' 14' ' ' TYR . 10.1 mttm -73.53 -21.67 60.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.307 -0.871 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 16' ' ' ILE . 95.7 mt -83.6 -33.84 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.209 -0.932 . . . . 0.0 110.283 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.883 HG13 HG13 ' A' ' 38' ' ' ILE . 4.5 t -71.12 -48.71 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.252 -0.905 . . . . 0.0 110.349 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 11.3 pt-20 -55.37 -37.79 67.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 110.231 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 8.5 tpm_? -46.33 -32.39 3.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.135 -0.978 . . . . 0.0 109.904 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CG2' ' A' ' 31' ' ' THR . 16.5 mtt85 -60.52 -83.55 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.345 -0.847 . . . . 0.0 109.893 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -54.98 -30.79 59.96 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.097 -1.002 . . . . 0.0 109.541 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -47.17 -46.36 23.52 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.244 -0.91 . . . . 0.0 109.415 179.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' OE2' ' HA ' ' A' ' 23' ' ' ARG . 2.5 pt-20 -78.92 -23.04 44.95 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.331 -0.856 . . . . 0.0 110.136 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 102.94 42.79 2.03 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HB1' ' OG1' ' A' ' 31' ' ' THR . . . -59.88 -160.06 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.236 -1.155 . . . . 0.0 110.304 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 30' ' ' SER . 8.1 ptpp? -127.79 -44.51 1.49 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.279 -0.888 . . . . 0.0 110.149 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.457 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.6 m -128.39 25.5 5.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.124 -0.985 . . . . 0.0 109.883 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.77 ' OG1' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -107.3 40.03 1.77 Allowed 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.129 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.477 ' O ' ' O ' ' A' ' 33' ' ' VAL . 34.7 t70 -86.49 22.0 1.98 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.489 -0.757 . . . . 0.0 110.272 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 38' ' ' ILE . 29.0 m -52.44 -168.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.441 -0.787 . . . . 0.0 110.224 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.514 ' CA ' HG11 ' A' ' 20' ' ' VAL . 29.4 t -147.24 174.57 11.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.015 -1.053 . . . . 0.0 110.483 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 4.8 t80 -52.01 -65.87 0.48 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.392 -0.817 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -42.57 -47.29 5.17 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.69 -59.46 2.94 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.303 -0.873 . . . . 0.0 110.179 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.883 HG13 HG13 ' A' ' 20' ' ' VAL . 10.1 mm -55.62 -20.43 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 110.217 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.577 ' OG ' ' CE1' ' A' ' 35' ' ' PHE . 50.4 m -73.72 -48.8 29.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.197 -0.939 . . . . 0.0 110.278 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.8 m -50.01 -57.83 6.74 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.6 ptm -57.85 -25.56 60.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.246 -0.909 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.928 ' CD2' HD12 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -66.41 -61.49 1.97 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.227 -0.921 . . . . 0.0 110.4 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -31.58 72.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.158 -0.964 . . . . 0.0 110.32 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -32.25 73.75 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.833 HD11 HG23 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -96.75 -3.47 42.35 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ARG . . . 67.44 26.48 73.58 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.928 HD12 ' CD2' ' A' ' 42' ' ' LEU . 5.0 tt 43.59 24.98 0.07 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.211 -1.17 . . . . 0.0 110.624 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 49' ' ' VAL . 4.9 mmt85 -75.89 -49.36 18.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.228 -0.92 . . . . 0.0 111.912 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.833 HG23 HD11 ' A' ' 45' ' ' LEU . 54.6 t -39.52 -96.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.07 -1.018 . . . . 0.0 111.814 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.732 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -35.66 -29.7 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.451 0 O-C-N 121.404 -0.81 . . . . 0.0 110.966 -178.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG3' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -76.83 -37.82 54.96 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.519 -179.37 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 49' ' ' VAL . . . -67.88 -12.57 60.94 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.364 -0.835 . . . . 0.0 110.217 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -124.79 38.98 4.08 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.267 -0.896 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 15.1 mmt -75.82 -21.18 57.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.244 -0.91 . . . . 0.0 110.198 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -141.33 177.61 7.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.19 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.271 0.557 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.97 103.28 15.22 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.237 -0.914 . . . . 0.0 110.168 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.42 84.06 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.265 -0.897 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -100.22 161.08 13.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.145 -0.972 . . . . 0.0 110.235 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.02 108.83 1.74 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.911 . . . . 0.0 110.156 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -86.42 154.05 21.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.164 -0.96 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t 50.48 90.4 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.213 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' GLU . 5.1 t -134.5 136.99 43.52 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.244 -0.91 . . . . 0.0 110.226 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 20.5 p-10 -62.47 73.14 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.318 -0.864 . . . . 0.0 110.319 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.1 tt0 -71.0 64.74 0.34 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.271 -0.893 . . . . 0.0 110.263 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 12' ' ' ILE . 10.3 mm -81.3 -42.23 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.256 -0.903 . . . . 0.0 110.186 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG13 ' CE2' ' A' ' 35' ' ' PHE . 53.0 t -46.06 -49.06 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.168 -0.957 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -61.67 -47.58 84.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -60.69 -45.77 92.89 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.123 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 20' ' ' VAL . 18.4 mt -64.7 -55.17 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -0.931 . . . . 0.0 110.001 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -45.86 -47.76 15.97 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.4 mtpt -43.99 -43.83 6.89 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.29 -0.881 . . . . 0.0 110.023 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 15' ' ' LYS . 2.5 mt -74.47 -35.24 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.9 . . . . 0.0 109.969 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.832 HG22 HG13 ' A' ' 38' ' ' ILE . 3.2 t -70.44 -50.86 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.227 -0.921 . . . . 0.0 109.925 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.78 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -53.73 -24.01 13.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.085 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.524 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 1.2 tpt180 -68.02 -57.54 5.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.253 -0.905 . . . . 0.0 110.085 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' CB ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -45.0 -55.99 5.03 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.166 -0.959 . . . . 0.0 109.731 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 8.2 ptm180 -69.6 -39.32 77.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.853 . . . . 0.0 109.619 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -44.08 -43.29 6.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.343 -0.848 . . . . 0.0 109.179 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -74.07 -30.11 62.22 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.548 -0.72 . . . . 0.0 109.759 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 89.62 14.62 59.53 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.544 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -110.36 35.74 3.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.141 -1.211 . . . . 0.0 110.171 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.544 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER 163.17 34.09 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.741 -0.599 . . . . 0.0 109.997 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' A' ' 24' ' ' ARG . 80.7 p -89.75 16.95 7.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 110.075 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -108.01 -35.33 6.64 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-O 121.611 0.719 . . . . 0.0 109.12 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.24 -47.84 4.19 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 121.323 0.582 . . . . 0.0 110.371 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG21 ' CB ' ' A' ' 23' ' ' ARG . 5.7 p -45.75 148.89 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.28 -0.888 . . . . 0.0 110.501 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' PHE . 3.3 t -175.52 146.29 0.77 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.359 -0.838 . . . . 0.0 110.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' SER . 40.8 t80 -42.81 -55.71 3.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.214 -0.929 . . . . 0.0 110.327 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -55.96 -28.97 59.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 110.452 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -80.2 -43.54 21.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.242 -0.911 . . . . 0.0 110.448 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.832 HG13 HG22 ' A' ' 20' ' ' VAL . 27.8 mm -71.46 -44.38 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.196 -0.94 . . . . 0.0 110.639 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.546 ' HB2' HD13 ' A' ' 16' ' ' ILE . 2.1 t -65.08 -45.26 86.02 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.083 -1.011 . . . . 0.0 110.556 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 9.3 m -50.21 -54.65 19.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.251 -0.906 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -70.38 -27.37 64.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.082 -1.011 . . . . 0.0 110.718 -179.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -67.05 -48.28 68.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.152 -0.968 . . . . 0.0 110.512 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.07 -43.29 78.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.148 -0.97 . . . . 0.0 110.55 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 40' ' ' THR . 34.7 mt-10 -57.69 -28.17 63.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.181 -0.949 . . . . 0.0 109.087 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.38 -2.8 32.5 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.715 -0.615 . . . . 0.0 109.466 179.421 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.633 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 51.95 41.28 51.87 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.141 -1.583 . . . . 0.0 109.141 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.633 HD23 ' C ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER 35.47 31.48 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.83 -0.806 . . . . 0.0 110.937 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -74.16 -88.46 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.117 -0.989 . . . . 0.0 110.316 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.675 HG12 ' CD1' ' A' ' 45' ' ' LEU . 7.1 p -48.15 -24.22 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.128 -0.983 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.3 t80 -58.05 -54.34 48.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.112 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -10.61 58.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.251 -0.906 . . . . 0.0 110.351 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -80.19 -56.72 4.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.252 -0.905 . . . . 0.0 110.373 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 2.8 pt20 -52.94 -21.87 4.89 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 110.319 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.7 mmm -88.01 -50.15 6.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.275 -0.891 . . . . 0.0 110.28 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ALA . 1.3 mt-10 -126.1 166.99 15.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.277 -0.889 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.192 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.218 0.532 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 61.77 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.195 -0.941 . . . . 0.0 110.181 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 t -121.83 -41.21 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 110.187 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.5 mt-30 45.82 -167.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.2 -0.937 . . . . 0.0 110.313 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 66.04 89.95 0.09 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.183 -0.948 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -53.12 104.15 0.09 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 110.151 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 8' ' ' VAL . 85.0 t 50.02 79.16 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 110.113 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -83.53 148.07 27.42 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 110.354 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' HB3' HG23 ' A' ' 13' ' ' VAL . 6.1 m-20 -62.09 78.09 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.198 -0.939 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . 12.1 tm-20 -59.53 -13.86 10.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.267 -0.896 . . . . 0.0 110.367 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' CD1' ' A' ' 47' ' ' LEU . 11.8 mm -70.99 -35.52 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.205 -0.935 . . . . 0.0 110.289 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG13 ' HZ ' ' A' ' 35' ' ' PHE . 90.0 t -41.66 -45.58 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.344 -0.847 . . . . 0.0 110.248 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -51.33 58.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -39.77 59.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.701 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 19' ' ' ILE . 43.0 mm -67.46 -46.83 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.154 -0.966 . . . . 0.0 110.225 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 13' ' ' VAL . 36.4 m-80 -44.07 -31.6 0.98 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -54.06 11.1 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.289 -0.882 . . . . 0.0 110.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 16' ' ' ILE . 5.8 mt -52.33 -51.38 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.012 HG22 HG13 ' A' ' 38' ' ' ILE . 47.1 t -63.34 -61.24 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' ARG . 12.5 mm-40 -49.31 -43.38 43.39 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.269 -0.894 . . . . 0.0 110.081 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -43.86 -48.84 8.39 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.352 -0.842 . . . . 0.0 110.106 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -44.53 -53.82 6.65 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.256 -0.903 . . . . 0.0 110.043 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HA ' ' H ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.54 -54.67 13.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.216 -0.927 . . . . 0.0 110.116 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.56 -23.18 0.91 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.597 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.11 -24.76 14.5 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.364 -0.835 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 123.71 58.65 0.19 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -55.49 -162.69 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.419 -1.048 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.83 -45.88 0.48 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.129 -0.982 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -145.43 -171.47 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.185 -0.947 . . . . 0.0 110.28 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.0 p -82.41 9.48 9.02 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.199 -0.938 . . . . 0.0 110.204 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -49.97 -27.34 5.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.284 -0.885 . . . . 0.0 110.136 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 20' ' ' VAL . 13.9 p -95.69 148.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.178 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 19.6 m -155.26 150.86 27.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.919 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.743 ' HA ' HG21 ' A' ' 20' ' ' VAL . 70.0 t80 -57.25 -40.7 78.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.249 -0.907 . . . . 0.0 110.159 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -69.27 -27.72 65.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.312 -0.867 . . . . 0.0 110.192 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.452 ' HB3' ' HB2' ' A' ' 34' ' ' SER . 1.0 OUTLIER -79.95 -43.55 21.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.274 -0.892 . . . . 0.0 110.427 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.012 HG13 HG22 ' A' ' 20' ' ' VAL . 15.6 mm -75.24 -22.23 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 110.512 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.5 OUTLIER -61.63 -79.48 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.283 -0.886 . . . . 0.0 110.555 -179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 4.4 t -41.39 -35.09 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.555 ' O ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.59 -60.32 2.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.314 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.061 HD11 ' CD2' ' A' ' 50' ' ' TYR . 2.3 mm? -56.8 -59.01 5.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.167 -0.958 . . . . 0.0 110.229 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.3 -43.92 43.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.238 -0.913 . . . . 0.0 110.316 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 40' ' ' THR . 26.2 mt-10 -62.75 -18.27 62.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.109 -0.994 . . . . 0.0 108.648 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 41' ' ' MET . 3.8 mt -99.08 -3.37 34.84 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.768 -0.583 . . . . 0.0 109.625 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 69.26 7.07 56.57 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER 77.46 -32.3 0.18 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.544 -0.974 . . . . 0.0 111.402 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.6 tpp180 -70.55 -65.95 0.67 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.861 -1.149 . . . . 0.0 110.52 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 49' ' ' VAL . 24.8 t -42.13 -32.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.293 -0.88 . . . . 0.0 110.343 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 1.061 ' CD2' HD11 ' A' ' 42' ' ' LEU . 20.2 t80 -74.2 -68.54 0.52 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.154 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -20.56 39.13 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.267 -0.896 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.41 -25.02 65.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.183 -0.948 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 54' ' ' MET . 17.8 pt20 -49.17 -43.12 41.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.871 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.482 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 47.4 mtp -154.49 -67.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -0.946 . . . . 0.0 110.162 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' MET . 16.2 tt0 -179.72 155.92 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.315 -0.866 . . . . 0.0 110.188 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.248 0.547 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.582 ' C ' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -112.79 81.04 1.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.187 -0.946 . . . . 0.0 110.208 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.582 HG22 ' C ' ' A' ' 3' ' ' LYS . 26.8 m 35.71 76.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.677 -0.639 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 21.7 mt-30 61.08 157.13 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.277 -0.889 . . . . 0.0 110.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.56 100.12 4.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.924 . . . . 0.0 110.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -119.06 51.78 1.1 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.198 -0.938 . . . . 0.0 110.552 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 8' ' ' VAL . 47.1 t -114.84 59.75 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.191 -0.943 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.47 52.16 2.42 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.107 -0.996 . . . . 0.0 110.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -62.76 -43.85 97.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.89 . . . . 0.0 110.44 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -45.55 -46.2 13.95 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.546 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 12' ' ' ILE . 13.0 mm -51.78 -47.25 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 110.327 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.16 -33.52 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.226 -0.921 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.03 -49.94 72.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -52.44 -27.87 17.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.948 ' O ' HG22 ' A' ' 20' ' ' VAL . 25.6 mm -74.55 -61.52 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.245 -0.91 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.768 ' O ' HG23 ' A' ' 20' ' ' VAL . 32.4 m-20 -42.05 -26.81 0.1 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.856 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 16' ' ' ILE . 23.4 mttm -75.96 -60.53 2.28 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.15 -0.969 . . . . 0.0 109.433 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.748 HD11 ' OH ' ' A' ' 50' ' ' TYR . 37.0 mt -48.11 -54.68 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.446 -0.784 . . . . 0.0 109.691 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.948 HG22 ' O ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -44.8 -69.45 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.297 -0.877 . . . . 0.0 109.921 179.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.705 ' H ' HG23 ' A' ' 20' ' ' VAL . 2.1 mm-40 -46.21 -27.85 1.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.616 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -71.09 -35.21 71.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.122 -0.986 . . . . 0.0 110.253 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' ARG . 0.3 OUTLIER -43.53 -43.13 5.35 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.149 -0.97 . . . . 0.0 110.181 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.4 mtt180 -72.74 -60.32 2.29 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.173 -0.954 . . . . 0.0 110.11 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -43.77 -27.69 0.35 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.871 . . . . 0.0 109.18 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -85.23 -30.0 24.21 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.53 -0.731 . . . . 0.0 110.065 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 126.72 48.99 0.18 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -53.77 -169.17 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -1.118 . . . . 0.0 110.217 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -129.69 -49.86 1.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.275 -0.891 . . . . 0.0 110.249 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.83 -166.21 2.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.166 -0.959 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 t -87.38 0.07 56.02 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.249 -0.907 . . . . 0.0 110.307 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -51.16 -26.3 6.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.246 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -81.9 146.49 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.181 -0.949 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.27 -179.25 1.89 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.167 -0.958 . . . . 0.0 110.089 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -55.58 -62.57 1.59 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.165 -0.959 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 40' ' ' THR . 0.7 OUTLIER -48.36 -47.05 37.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.286 -0.884 . . . . 0.0 110.214 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 41' ' ' MET . 2.6 t -61.77 -64.24 1.0 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.149 -0.97 . . . . 0.0 110.505 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.571 HG13 ' CG1' ' A' ' 20' ' ' VAL . 10.0 mm -55.02 -38.22 45.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.211 -0.93 . . . . 0.0 110.302 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HB2' HG21 ' A' ' 16' ' ' ILE . 14.8 t -74.43 -48.74 25.78 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 110.56 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 36' ' ' SER . 24.2 m -50.23 -42.74 52.3 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.325 -0.859 . . . . 0.0 110.899 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 42' ' ' LEU . 1.5 ptt? -67.9 -29.68 68.83 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.171 -0.955 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.631 HD21 ' CG ' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.62 -48.56 63.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.168 -0.957 . . . . 0.0 110.349 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -15.23 62.84 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.232 -0.918 . . . . 0.0 110.523 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' MET . 1.5 mm-40 -65.62 -31.3 72.25 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mp -100.82 -6.77 24.36 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.303 0.573 . . . . 0.0 109.548 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 82.26 19.77 63.93 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HA ' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER 63.86 7.91 3.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -1.182 . . . . 0.0 110.489 -179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -81.37 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.238 -0.913 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.65 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 98.7 t -43.01 -35.97 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.282 -0.886 . . . . 0.0 110.382 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.748 ' OH ' HD11 ' A' ' 19' ' ' ILE . 61.1 t80 -50.73 -53.14 33.89 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.142 -0.974 . . . . 0.0 110.12 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG2' ' HG3' ' A' ' 54' ' ' MET . 0.0 OUTLIER -62.42 -13.04 25.39 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.44 -0.788 . . . . 0.0 110.323 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -62.47 -46.46 88.38 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.153 -0.967 . . . . 0.0 109.906 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -95.46 38.18 1.16 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.347 -0.846 . . . . 0.0 110.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.491 ' HG3' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.66 -47.78 79.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.27 -0.894 . . . . 0.0 110.204 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 47.7 tt0 -134.44 159.97 39.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.205 -0.934 . . . . 0.0 110.252 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.194 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.278 0.561 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 4' ' ' VAL . 5.0 ttmm -86.78 61.27 6.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.225 -0.922 . . . . 0.0 110.343 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' LYS . 6.8 p -43.96 146.21 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.273 -0.892 . . . . 0.0 110.124 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -68.72 157.91 35.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.253 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.8 80.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 110.224 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.906 ' HD2' HG23 ' A' ' 8' ' ' VAL . 17.2 t80 -95.33 166.73 11.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.451 -0.78 . . . . 0.0 110.085 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.906 HG23 ' HD2' ' A' ' 7' ' ' TYR . 42.5 t 54.63 -89.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.161 -0.962 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.672 ' N ' HG12 ' A' ' 8' ' ' VAL . 2.0 m -113.55 137.59 51.35 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.296 -0.878 . . . . 0.0 110.147 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.32 -128.9 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.216 -0.928 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -13.6 59.51 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.31 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' O ' HG12 ' A' ' 16' ' ' ILE . 15.6 mm -54.37 -30.39 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.312 -0.868 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 14' ' ' TYR . 33.2 m -46.44 -45.2 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.218 -0.926 . . . . 0.0 110.373 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' N ' HG23 ' A' ' 13' ' ' VAL . 96.5 m-85 -63.46 -60.55 3.22 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.185 -0.947 . . . . 0.0 110.375 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.65 -35.88 1.24 Allowed 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.483 -0.76 . . . . 0.0 110.671 -179.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.904 ' CD1' HD13 ' A' ' 42' ' ' LEU . 18.3 mm -72.09 -60.89 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.115 -0.991 . . . . 0.0 110.442 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -43.96 -26.23 0.26 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.23 -0.918 . . . . 0.0 110.14 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -76.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.263 -0.898 . . . . 0.0 110.622 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.595 ' CG2' HG21 ' A' ' 38' ' ' ILE . 2.8 tp -44.82 -44.9 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.756 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.967 HG13 HG22 ' A' ' 33' ' ' VAL . 15.1 t -59.86 -49.34 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.132 -0.98 . . . . 0.0 110.398 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ASN . 2.2 tt0 -42.65 -46.9 5.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.222 -0.924 . . . . 0.0 110.492 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.2 mtt180 -42.91 -50.25 5.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.163 -0.961 . . . . 0.0 110.31 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' CG ' HG11 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -47.99 -59.06 3.64 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.162 -0.961 . . . . 0.0 110.156 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -67.23 -49.3 64.97 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.24 -0.913 . . . . 0.0 110.086 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -44.33 -32.02 1.2 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 109.463 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -27.8 27.72 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.485 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 117.28 47.12 0.48 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -103.69 152.68 21.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -1.161 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 mtmt -145.04 63.24 1.29 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.339 -0.851 . . . . 0.0 110.159 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -143.49 149.84 38.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.224 -0.923 . . . . 0.0 110.127 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.9 m -66.32 -7.58 19.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.283 -0.886 . . . . 0.0 110.316 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -34.63 46.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.239 -0.913 . . . . 0.0 110.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.967 HG22 HG13 ' A' ' 20' ' ' VAL . 12.0 p -120.03 145.72 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.248 -0.907 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.575 ' H ' HD13 ' A' ' 38' ' ' ILE . 0.4 OUTLIER 172.0 -175.04 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.245 -0.91 . . . . 0.0 109.987 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' N ' ' OG ' ' A' ' 34' ' ' SER . 33.5 t80 -68.27 -64.07 0.94 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.193 -0.942 . . . . 0.0 110.092 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -68.9 -14.75 63.22 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.236 -0.915 . . . . 0.0 110.364 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.4 t -78.83 -63.96 1.29 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.986 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.853 HG12 HG22 ' A' ' 20' ' ' VAL . 1.1 mp -61.26 -40.88 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.219 -0.926 . . . . 0.0 109.94 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -53.69 -41.87 67.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.093 -1.004 . . . . 0.0 109.989 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.513 HG22 ' OE1' ' A' ' 44' ' ' GLU . 23.7 m -48.51 -72.02 0.06 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.233 -0.917 . . . . 0.0 110.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.584 ' HE2' HG23 ' A' ' 38' ' ' ILE . 5.2 ptt? -51.65 -30.98 23.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.904 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.45 -56.13 9.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.354 -0.841 . . . . 0.0 110.545 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tp -59.48 -45.86 90.45 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.123 -0.985 . . . . 0.0 110.687 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' OE1' HG22 ' A' ' 40' ' ' THR . 1.5 mp0 -56.16 -23.41 34.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.112 -0.992 . . . . 0.0 109.388 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.52 1.27 40.85 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.65 -0.656 . . . . 0.0 109.462 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.077 ' O ' HD22 ' A' ' 47' ' ' LEU . . . 55.73 45.04 86.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 108.884 -1.686 . . . . 0.0 108.884 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.077 HD22 ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER 21.21 44.84 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -75.32 -87.61 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.086 -1.009 . . . . 0.0 109.968 179.451 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -57.5 -18.02 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.238 -0.914 . . . . 0.0 109.768 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CD1' HD21 ' A' ' 42' ' ' LEU . 62.6 t80 -72.03 -53.33 13.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.352 -0.843 . . . . 0.0 109.949 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -71.55 -4.39 26.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.23 -0.919 . . . . 0.0 110.295 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.02 21.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.303 -0.873 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 18.3 pt20 -48.31 -34.16 10.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.24 -0.912 . . . . 0.0 110.052 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.405 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.6 mmt -75.86 -19.04 59.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 0.0 110.11 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -101.1 167.69 10.07 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.193 -0.942 . . . . 0.0 110.341 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.201 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.29 0.567 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -101.97 48.13 0.88 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.22 -0.925 . . . . 0.0 110.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 5' ' ' GLN . 11.2 m -120.24 41.01 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 110.391 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 4' ' ' VAL . 50.6 mt-30 43.2 -167.81 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 7' ' ' TYR . . . -122.12 80.24 1.69 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.082 -1.011 . . . . 0.0 110.347 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 8' ' ' VAL . 24.0 m-85 40.63 70.85 0.22 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.431 -0.793 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 7' ' ' TYR . 78.6 t 49.72 100.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.344 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.86 148.82 0.72 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.0 p30 -71.43 -2.36 16.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.332 -0.855 . . . . 0.0 110.54 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -43.57 -27.39 0.29 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.214 -0.929 . . . . 0.0 110.464 -179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 16' ' ' ILE . 9.0 mm -73.83 -21.98 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.12 -0.987 . . . . 0.0 110.252 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.0 t -68.51 -33.41 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.282 -0.886 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -71.32 -33.97 70.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' LYS . 1.7 mttt -74.01 -49.19 25.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.0 110.386 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG23 HG22 ' A' ' 38' ' ' ILE . 19.0 mm -42.54 -43.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.06 -31.19 68.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.203 -0.936 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' LYS . 10.5 mtpp -63.78 -46.52 84.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.159 -0.963 . . . . 0.0 110.304 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.762 ' HB ' HG21 ' A' ' 38' ' ' ILE . 17.4 mm -49.05 -58.12 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.143 -0.973 . . . . 0.0 109.845 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.917 HG23 HG13 ' A' ' 38' ' ' ILE . 2.3 t -44.49 -72.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 0.0 109.701 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.681 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -38.26 -40.14 0.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.708 -0.62 . . . . 0.0 110.563 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.593 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -68.9 -37.09 78.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.902 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 1.045 ' CD ' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -46.56 -55.87 6.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.264 -0.898 . . . . 0.0 109.727 179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -72.99 -25.59 61.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.262 -0.899 . . . . 0.0 109.741 179.585 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.8 -23.07 64.23 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.084 -1.01 . . . . 0.0 108.546 178.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.8 -29.12 16.15 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.778 -0.576 . . . . 0.0 109.813 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' ALA . . . 135.86 39.19 0.16 Allowed Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 27' ' ' GLY . . . -56.83 -156.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.229 -1.159 . . . . 0.0 110.4 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -38.8 1.84 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.373 -0.83 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.9 t -165.94 -166.47 0.93 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.219 -0.926 . . . . 0.0 110.426 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.29 14.64 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.303 -0.873 . . . . 0.0 110.475 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.578 ' OD1' HG23 ' A' ' 33' ' ' VAL . 43.1 p-10 -57.02 -18.49 14.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 110.112 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.045 HG21 ' CD ' ' A' ' 23' ' ' ARG . 88.0 t -91.24 170.93 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.32 -0.862 . . . . 0.0 110.22 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.561 ' N ' HG12 ' A' ' 33' ' ' VAL . 5.2 p 174.34 175.43 0.16 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.982 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 39' ' ' SER . 42.3 t80 -47.99 -66.42 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' PHE . 2.1 p -41.97 -42.65 2.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.287 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -70.87 -52.21 21.62 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.24 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.917 HG13 HG23 ' A' ' 20' ' ' VAL . 8.7 mm -67.73 -19.59 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.434 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.95 -60.05 2.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.1 -1.0 . . . . 0.0 110.132 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -50.75 -53.78 28.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.439 -0.788 . . . . 0.0 111.442 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.541 ' CG ' ' N ' ' A' ' 42' ' ' LEU . 4.1 ptt? -45.82 -44.92 14.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 110.7 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' ' CG ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -68.03 -54.53 17.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.001 -1.062 . . . . 0.0 110.321 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.11 -27.76 55.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.279 -0.888 . . . . 0.0 110.556 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -24.48 67.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.984 -1.073 . . . . 0.0 108.733 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.949 ' CD2' HG11 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -100.45 -5.15 27.52 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.36 0.6 . . . . 0.0 109.732 179.512 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 92.93 -4.28 74.84 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER 77.49 -22.15 0.3 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.456 -1.026 . . . . 0.0 111.273 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 -30.8 61.28 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 110.532 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.949 HG11 ' CD2' ' A' ' 45' ' ' LEU . 58.8 t -59.48 -65.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.103 -0.998 . . . . 0.0 110.242 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' VAL . 75.9 t80 -41.41 -60.83 1.18 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.436 -0.79 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -36.9 75.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.211 -0.931 . . . . 0.0 110.429 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . -69.66 -43.49 72.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.202 -0.936 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -16.82 4.98 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 110.315 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mmm -83.21 -21.65 33.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.106 -0.996 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 52' ' ' ALA . 5.1 pt-20 -141.28 169.82 16.88 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.153 -0.967 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.296 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.266 0.555 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.39 133.48 7.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 110.352 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 5' ' ' GLN . 8.6 p -151.84 -38.83 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.333 -0.854 . . . . 0.0 110.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.502 ' N ' HG13 ' A' ' 4' ' ' VAL . 1.8 mt-30 -67.77 170.86 7.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -0.908 . . . . 0.0 110.088 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -117.79 45.83 1.87 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.53 57.51 1.58 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.26 -0.9 . . . . 0.0 110.216 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.0 m -125.74 24.51 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.337 -0.852 . . . . 0.0 110.214 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLU . 14.8 p -105.4 -162.04 0.85 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 110.224 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 30.9 p-10 -58.7 80.61 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.188 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.2 tt0 -61.54 -11.05 9.41 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.335 -0.853 . . . . 0.0 110.463 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.426 ' O ' HG13 ' A' ' 16' ' ' ILE . 8.9 mm -51.64 -39.27 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 110.242 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 14' ' ' TYR . 35.2 m -47.32 -40.28 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.224 -0.923 . . . . 0.0 110.126 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.8 t80 -71.99 -29.12 63.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -0.902 . . . . 0.0 110.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -73.06 -32.61 65.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.122 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.9 mt -70.03 -18.87 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.208 -0.932 . . . . 0.0 110.146 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -46.31 90.06 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.291 -0.88 . . . . 0.0 110.163 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -71.1 -24.01 62.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.18 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 21.8 mm -69.66 -49.8 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.191 -0.943 . . . . 0.0 110.177 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.899 HG22 HG13 ' A' ' 38' ' ' ILE . 6.0 t -70.11 -55.59 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.19 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 41.2 tt0 -44.87 -30.53 1.01 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 110.161 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 5.1 ttt-85 -49.75 -45.86 49.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.207 -0.933 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 2.8 mmt180 -46.45 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.063 -1.023 . . . . 0.0 109.888 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 24.3 ttm-85 -58.94 -37.38 76.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.07 -1.019 . . . . 0.0 109.798 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.01 -39.68 5.83 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.311 -0.868 . . . . 0.0 109.712 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.3 pt-20 -82.98 -21.18 34.02 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.291 -0.881 . . . . 0.0 110.22 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 124.1 29.79 1.08 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.83 -165.43 0.63 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -1.169 . . . . 0.0 110.216 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -163.46 -168.72 1.75 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.126 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER 60.85 136.71 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.286 -0.884 . . . . 0.0 110.196 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -85.15 16.08 3.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.282 -0.886 . . . . 0.0 110.343 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -30.46 46.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.652 HG22 HG13 ' A' ' 20' ' ' VAL . 11.1 p -96.59 153.59 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.268 -0.895 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.0 155.41 8.28 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.248 -0.908 . . . . 0.0 110.136 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.667 ' HA ' HG21 ' A' ' 20' ' ' VAL . 6.7 t80 -48.09 -48.87 33.33 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.893 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -65.22 -38.04 89.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.279 -0.888 . . . . 0.0 110.302 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.4 t -67.2 -46.17 74.69 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 110.421 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.899 HG13 HG22 ' A' ' 20' ' ' VAL . 34.0 mm -68.93 -27.55 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.261 -0.9 . . . . 0.0 110.299 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.434 ' OG ' HG21 ' A' ' 16' ' ' ILE . 28.0 m -74.46 -61.63 1.8 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.23 -0.919 . . . . 0.0 110.389 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 41' ' ' MET . 6.5 t -50.17 -44.61 52.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.385 -0.822 . . . . 0.0 110.832 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.568 ' N ' HG23 ' A' ' 40' ' ' THR . 2.8 ptt? -62.57 -31.19 71.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.024 -1.048 . . . . 0.0 110.457 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -68.03 -62.59 1.33 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.114 -0.991 . . . . 0.0 110.296 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.76 -38.54 91.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 40' ' ' THR . 3.2 mm-40 -56.44 -27.2 56.09 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.173 -0.954 . . . . 0.0 109.001 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -100.53 -11.09 20.4 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.876 ' C ' HD23 ' A' ' 47' ' ' LEU . . . 78.74 30.16 49.26 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.876 HD23 ' C ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER 36.87 28.65 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.625 -0.926 . . . . 0.0 111.031 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -74.53 -93.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 110.251 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 45' ' ' LEU . 23.4 m -44.9 -26.16 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.201 -0.937 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 42' ' ' LEU . 4.5 t80 -55.63 -55.68 29.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.073 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -40.16 80.03 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 110.555 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.73 96.81 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.326 -0.858 . . . . 0.0 110.153 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 10.1 mm-40 -45.12 -58.4 3.25 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.321 -0.862 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.6 ptt? -92.2 -8.99 43.91 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 53.63 -177.54 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.275 -0.891 . . . . 0.0 110.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.151 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.287 0.565 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -105.49 86.2 2.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 110.176 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.4 p -132.98 82.86 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.279 -0.888 . . . . 0.0 110.218 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.546 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 4.3 mm100 -56.14 -165.44 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.31 -0.869 . . . . 0.0 110.163 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 177.76 91.37 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.195 -0.941 . . . . 0.0 110.154 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.92 51.5 2.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.285 -0.884 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.8 t -132.23 100.27 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.297 -0.877 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -117.74 94.72 4.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.932 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -60.64 77.86 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.251 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.9 pt-20 -54.77 -28.27 47.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.286 -0.884 . . . . 0.0 110.209 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.3 mm -55.22 -50.23 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.251 -0.905 . . . . 0.0 110.262 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' ILE . 48.9 t -41.55 -48.6 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.356 -0.84 . . . . 0.0 110.425 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.06 -38.85 69.38 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.218 -0.926 . . . . 0.0 110.424 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 23.3 ttpp -53.33 -30.89 41.58 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.231 -0.918 . . . . 0.0 110.451 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.5 mt -79.99 -40.47 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.122 -0.986 . . . . 0.0 110.089 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.78 -46.4 50.74 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.873 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 10.4 pttt -74.97 -23.39 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.262 -0.898 . . . . 0.0 110.294 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 46.5 mt -77.6 -35.13 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.348 -0.845 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 16' ' ' ILE . 15.1 t -63.19 -48.98 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -43.66 -45.59 6.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 110.358 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.55 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 1.5 mpt_? -43.65 -44.08 6.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.284 -0.885 . . . . 0.0 110.277 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' HD2' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -43.16 -58.78 2.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.907 . . . . 0.0 110.258 -179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HD3' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -72.88 -35.63 67.19 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.139 -0.976 . . . . 0.0 109.843 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -52.43 -30.01 27.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.173 -0.954 . . . . 0.0 109.639 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HG2' ' N ' ' A' ' 27' ' ' GLY . 1.2 pt-20 -92.19 -21.56 20.3 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.523 ' N ' ' HG2' ' A' ' 26' ' ' GLU . . . 115.71 54.73 0.36 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . . . -50.91 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.241 -1.152 . . . . 0.0 110.239 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.94 -43.9 0.47 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.107 -0.996 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.63 149.61 21.26 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 110.298 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 31' ' ' THR . 92.5 m -76.76 2.49 14.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.933 . . . . 0.0 110.177 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.76 -15.31 7.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.303 -0.873 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG2' ' HG2' ' A' ' 23' ' ' ARG . 25.3 t -55.54 141.09 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.258 -0.901 . . . . 0.0 110.477 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 2.8 t 170.05 139.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 20' ' ' VAL . 1.3 t80 -42.66 -45.13 4.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.12 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' THR . 49.2 m -67.04 -31.74 72.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.903 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' SER . 7.5 t -72.92 -54.35 8.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.277 -0.89 . . . . 0.0 109.88 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.823 HG13 HG13 ' A' ' 20' ' ' VAL . 31.4 mm -61.44 -24.96 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.867 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 40' ' ' THR . 82.6 p -75.01 -63.35 1.28 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.298 -0.876 . . . . 0.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 41' ' ' MET . 7.1 t -50.07 -45.34 52.31 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.373 -0.829 . . . . 0.0 110.74 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.586 ' N ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER -63.75 -33.24 75.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.974 -1.079 . . . . 0.0 110.24 -179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 47' ' ' LEU . 6.9 tp -68.85 -47.54 65.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.083 -1.011 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.73 -20.83 6.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.259 -0.901 . . . . 0.0 110.248 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -67.5 -29.83 69.36 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD23 ' CG1' ' A' ' 49' ' ' VAL . 1.3 mt -101.13 -11.31 19.68 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.29 178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.635 ' O ' HD12 ' A' ' 47' ' ' LEU . . . 59.12 32.36 71.18 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER 68.82 -47.95 0.57 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.278 -1.13 . . . . 0.0 111.264 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -44.88 -71.94 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.891 -1.131 . . . . 0.0 110.752 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.744 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 t -54.41 -36.76 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.118 -0.989 . . . . 0.0 110.078 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 6.3 t80 -62.35 -45.12 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.292 -0.88 . . . . 0.0 109.954 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 54' ' ' MET . 0.4 OUTLIER -65.84 -22.75 66.56 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.336 -0.853 . . . . 0.0 110.503 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.44 84.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.21 -0.931 . . . . 0.0 110.154 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' TYR . 3.0 pt20 -82.9 6.52 18.21 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.232 -0.917 . . . . 0.0 110.531 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -90.95 -72.29 0.59 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -0.933 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.11 165.54 17.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.197 -0.94 . . . . 0.0 110.384 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.256 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.276 0.56 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -93.03 98.37 11.3 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.1 p -94.62 72.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.228 -0.92 . . . . 0.0 110.204 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.02 -172.54 2.05 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.202 -0.937 . . . . 0.0 110.289 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -160.62 78.48 0.63 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.188 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 49.27 62.49 2.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.243 -0.911 . . . . 0.0 110.211 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 8' ' ' VAL . 55.3 t -110.34 -3.52 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.268 -0.895 . . . . 0.0 110.199 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 11' ' ' GLU . 80.6 p -73.8 146.52 44.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.192 -0.943 . . . . 0.0 110.173 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 13' ' ' VAL . 83.2 m-20 -59.69 78.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.296 -0.878 . . . . 0.0 110.25 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -59.63 -27.15 66.09 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.309 -0.87 . . . . 0.0 110.252 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 16' ' ' ILE . 1.3 pt -57.18 -30.61 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.276 -0.89 . . . . 0.0 110.486 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG22 ' CZ ' ' A' ' 35' ' ' PHE . 48.3 t -45.94 -25.22 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.137 -0.977 . . . . 0.0 110.118 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -54.76 8.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.309 -0.87 . . . . 0.0 110.466 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.7 ptmt -73.96 -40.35 63.09 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.806 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.738 HD12 HD12 ' A' ' 12' ' ' ILE . 7.0 mt -68.03 -11.79 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.948 -1.095 . . . . 0.0 110.133 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.03 75.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.298 -0.876 . . . . 0.0 110.295 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -74.32 -23.84 59.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.266 -0.897 . . . . 0.0 110.232 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' CD1' ' OH ' ' A' ' 50' ' ' TYR . 25.2 mm -60.38 -47.96 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 110.061 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.74 HG13 HG12 ' A' ' 33' ' ' VAL . 25.0 t -60.2 -72.54 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 110.088 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' N ' HG12 ' A' ' 20' ' ' VAL . 2.0 mt-10 -41.37 -44.07 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.485 -0.76 . . . . 0.0 110.266 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' ARG . 21.3 ttt180 -52.18 -46.58 65.6 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 109.954 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.627 ' C ' ' HB3' ' A' ' 28' ' ' ALA . 4.9 mtt180 -43.78 -54.67 4.99 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 27' ' ' GLY . 1.9 ttm180 -65.85 -53.59 37.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.231 -0.918 . . . . 0.0 109.82 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -27.67 1.05 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.102 -0.999 . . . . 0.0 108.974 179.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.17 -21.02 27.76 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.589 -0.694 . . . . 0.0 110.233 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 140.66 -26.74 2.51 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.709 -1.356 . . . . 0.0 109.709 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' HB3' ' C ' ' A' ' 23' ' ' ARG . . . -45.1 145.47 1.03 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.155 -1.203 . . . . 0.0 109.993 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.76 -161.04 1.18 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.213 -0.929 . . . . 0.0 110.448 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 p 59.57 168.43 0.07 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.354 -0.841 . . . . 0.0 110.255 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.86 38.37 0.75 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -94.43 -18.0 21.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.21 -0.931 . . . . 0.0 110.04 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG12 HG13 ' A' ' 20' ' ' VAL . 23.2 t -93.25 140.46 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 12.1 t 174.32 148.91 0.08 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.517 -0.739 . . . . 0.0 109.644 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.633 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 6.4 t80 -45.05 -56.83 4.31 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.01 -1.057 . . . . 0.0 109.799 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.19 -35.13 16.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.905 . . . . 0.0 109.872 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -79.96 -50.33 10.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.442 -0.786 . . . . 0.0 110.01 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.587 ' CG1' HG22 ' A' ' 20' ' ' VAL . 14.6 mm -64.09 -31.29 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 109.983 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' PHE . 2.5 p -74.52 -47.7 31.38 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.173 -0.954 . . . . 0.0 109.981 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.8 m -50.27 -54.39 21.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.266 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.521 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -60.52 -30.46 69.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.236 -0.915 . . . . 0.0 110.35 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' SD ' ' A' ' 41' ' ' MET . 1.5 mt -68.54 -51.16 45.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.822 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.32 -45.23 69.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 111.053 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 41' ' ' MET . 9.0 pt-20 -53.1 -24.16 9.57 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.042 -1.036 . . . . 0.0 108.777 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -100.38 -19.05 16.46 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' LEU . . . 83.01 17.03 68.29 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 7.3 tp 53.33 18.28 1.26 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.167 -1.196 . . . . 0.0 110.317 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 49' ' ' VAL . 5.0 ttm180 -74.22 -93.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.118 -0.989 . . . . 0.0 110.889 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.743 HG22 HD11 ' A' ' 45' ' ' LEU . 10.2 m -41.0 -35.08 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.208 -0.933 . . . . 0.0 110.559 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' OH ' ' CD1' ' A' ' 19' ' ' ILE . 13.4 t80 -54.28 -58.26 8.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.371 -0.831 . . . . 0.0 110.271 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -27.28 69.09 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.081 -1.012 . . . . 0.0 110.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.03 -51.42 21.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.21 -0.931 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -120.88 49.63 1.45 Allowed 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.259 -0.901 . . . . 0.0 110.237 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' GLU . 3.7 ptt? -66.63 -27.11 67.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.29 -0.881 . . . . 0.0 110.167 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.463 ' O ' ' O ' ' A' ' 54' ' ' MET . 36.9 mt-10 44.66 -170.44 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.908 . . . . 0.0 110.277 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.279 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.228 0.537 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt 55.39 -178.36 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.21 -0.931 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 5' ' ' GLN . 6.2 t 58.2 72.4 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 110.31 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 4' ' ' VAL . 54.4 mt-30 52.48 175.04 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.183 -0.948 . . . . 0.0 110.226 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.85 86.1 2.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 110.2 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER 48.48 80.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.193 -0.942 . . . . 0.0 110.207 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.8 p -176.53 42.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.186 -0.947 . . . . 0.0 110.211 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.4 m -109.02 -163.02 0.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.303 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 13' ' ' VAL . 1.1 m-20 -59.32 79.83 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.27 -0.894 . . . . 0.0 110.233 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER -63.51 -10.02 15.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.32 -0.862 . . . . 0.0 110.261 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' HG13 ' A' ' 16' ' ' ILE . 13.7 mm -51.56 -46.74 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.131 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 14' ' ' TYR . 28.9 m -45.09 -42.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 110.108 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.562 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 t80 -72.26 -38.05 68.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -30.9 67.84 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.225 -0.922 . . . . 0.0 110.428 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 12' ' ' ILE . 8.6 mt -76.36 -38.37 32.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.198 -0.939 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -49.4 -35.47 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.157 -0.964 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -75.18 -22.29 58.12 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.246 -0.909 . . . . 0.0 110.262 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.509 HD11 ' OH ' ' A' ' 50' ' ' TYR . 31.2 mm -69.64 -51.79 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.944 . . . . 0.0 110.149 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.954 HG22 HG13 ' A' ' 38' ' ' ILE . 12.7 t -63.27 -45.44 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.908 . . . . 0.0 110.103 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.23 -36.24 79.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.343 -0.848 . . . . 0.0 110.508 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 19' ' ' ILE . 4.5 mtt180 -42.86 -48.12 5.71 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.165 -0.959 . . . . 0.0 110.256 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HB3' ' HB ' ' A' ' 31' ' ' THR . 0.6 OUTLIER -43.54 -48.04 7.41 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.348 -0.845 . . . . 0.0 109.615 179.705 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.641 ' HA ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 mtp180 -73.64 -47.09 42.67 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.278 -0.889 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -14.77 7.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.33 -0.856 . . . . 0.0 109.772 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -122.2 -1.43 9.23 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.315 -0.866 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . 140.74 63.11 0.03 OUTLIER Glycine 0 N--CA 1.492 2.418 0 C-N-CA 119.377 -1.392 . . . . 0.0 109.913 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.641 ' HB2' ' HA ' ' A' ' 24' ' ' ARG . . . -41.85 139.81 1.16 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.295 -1.121 . . . . 0.0 110.659 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 3.8 tmtt? -179.59 -62.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.561 -0.712 . . . . 0.0 109.231 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.7 p -106.68 40.01 1.72 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.43 -0.794 . . . . 0.0 109.201 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 23' ' ' ARG . 8.6 t -102.28 12.72 36.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.643 -0.661 . . . . 0.0 110.127 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 5.5 t0 -46.57 -24.53 0.54 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.359 -0.838 . . . . 0.0 109.837 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 32' ' ' ASP . 6.4 m -57.28 -157.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.157 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -169.18 -158.49 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.385 -0.822 . . . . 0.0 110.205 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 39' ' ' SER . 1.0 OUTLIER -66.84 -69.97 0.28 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 110.094 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -33.7 2.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.165 -0.959 . . . . 0.0 110.085 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.427 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -72.72 -63.74 1.1 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.293 -0.879 . . . . 0.0 110.013 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.954 HG13 HG22 ' A' ' 20' ' ' VAL . 17.2 mm -67.07 -7.79 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 110.157 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -69.5 -69.8 0.32 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 110.354 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.583 HG22 ' HG2' ' A' ' 44' ' ' GLU . 4.6 m -41.89 -30.51 0.26 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.35 -0.844 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.55 -64.71 0.72 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.318 -0.864 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD21 ' CE2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -53.38 -55.85 21.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.913 . . . . 0.0 110.348 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -53.69 -39.01 64.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.199 -0.938 . . . . 0.0 110.332 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HG2' HG22 ' A' ' 40' ' ' THR . 19.0 mm-40 -61.69 -20.58 63.61 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.189 -0.944 . . . . 0.0 108.711 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.712 HD23 ' HB ' ' A' ' 49' ' ' VAL . 1.3 mp -100.44 -5.29 27.34 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.308 0.575 . . . . 0.0 109.795 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 76.2 6.71 83.75 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' A' ' 46' ' ' GLY . 1.1 mt 77.12 -15.27 0.76 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.757 -0.849 . . . . 0.0 111.031 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -74.78 -79.34 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.894 -1.129 . . . . 0.0 110.109 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.712 ' HB ' HD23 ' A' ' 45' ' ' LEU . 24.9 t -44.8 -37.51 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.304 -0.872 . . . . 0.0 110.09 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.884 ' CE2' HD21 ' A' ' 42' ' ' LEU . 7.5 t80 -43.38 -58.7 2.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.26 -0.9 . . . . 0.0 110.125 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -62.9 -30.51 71.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.218 -0.926 . . . . 0.0 110.626 -179.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -65.02 -25.98 68.07 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.254 -0.904 . . . . 0.0 110.22 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -51.81 -46.84 64.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.243 -0.911 . . . . 0.0 110.361 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 49.95 28.93 3.1 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.204 -0.935 . . . . 0.0 110.037 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.53 165.72 24.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.152 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.218 0.532 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 tttm 63.39 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.34 -0.85 . . . . 0.0 110.185 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 5' ' ' GLN . 12.5 m -107.26 1.94 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.317 -0.864 . . . . 0.0 110.127 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 4' ' ' VAL . 6.3 mt-30 55.41 165.29 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.179 -0.95 . . . . 0.0 110.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.506 ' CB ' ' HB2' ' A' ' 10' ' ' ASP . . . -177.58 54.89 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.226 -0.921 . . . . 0.0 110.211 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' SER . 69.5 m-85 52.26 104.41 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 110.44 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 7' ' ' TYR . 4.5 t 63.75 -70.42 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.347 -0.846 . . . . 0.0 110.554 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -172.87 130.44 0.51 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.177 -0.952 . . . . 0.0 110.321 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.506 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 12.4 t0 -73.71 -68.85 0.47 Allowed 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.312 -0.868 . . . . 0.0 110.479 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -70.2 80.74 0.52 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.429 -0.795 . . . . 0.0 110.337 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.9 mm -87.48 -25.84 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.165 -0.959 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.829 HG12 ' CZ ' ' A' ' 35' ' ' PHE . 34.3 m -71.74 -28.63 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.465 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -71.78 -52.12 19.19 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.22 -0.925 . . . . 0.0 110.299 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -52.39 58.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.421 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.95 ' O ' HG22 ' A' ' 20' ' ' VAL . 44.8 mm -60.46 -37.64 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.134 -0.979 . . . . 0.0 110.227 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.609 ' O ' HG23 ' A' ' 20' ' ' VAL . 2.9 m-20 -46.0 -23.48 0.31 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 110.673 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -74.6 -63.69 1.19 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.078 -1.014 . . . . 0.0 110.144 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.649 HD13 ' OH ' ' A' ' 50' ' ' TYR . 2.0 mp -48.78 -52.4 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.164 -0.96 . . . . 0.0 109.752 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 16' ' ' ILE . 1.2 m -52.46 -66.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.12 -0.987 . . . . 0.0 110.497 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.736 ' H ' HG23 ' A' ' 20' ' ' VAL . 4.7 tp10 -50.27 -43.97 53.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.279 -0.888 . . . . 0.0 110.448 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -47.4 -51.49 19.69 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.206 -0.934 . . . . 0.0 110.248 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.575 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 20.5 mmm180 -48.21 -54.42 13.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.179 -0.951 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -73.27 -39.18 65.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.131 -0.981 . . . . 0.0 109.59 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ARG . . . -46.19 -37.76 7.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.271 -0.893 . . . . 0.0 109.311 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -80.48 -20.74 43.02 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.257 -0.902 . . . . 0.0 110.208 179.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' HG3' ' A' ' 26' ' ' GLU . . . 118.25 35.09 1.05 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . -66.29 -176.45 0.43 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.134 -1.215 . . . . 0.0 110.041 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 30' ' ' SER . 2.8 pttt -160.47 -162.28 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.198 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER 62.16 146.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.188 -0.945 . . . . 0.0 110.196 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -84.51 13.19 5.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.29 -0.881 . . . . 0.0 110.162 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.15 -22.11 60.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.205 -0.934 . . . . 0.0 110.1 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.54 140.08 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.232 -0.918 . . . . 0.0 110.297 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 35' ' ' PHE . 1.8 p -176.91 145.12 0.48 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.013 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.829 ' CZ ' HG12 ' A' ' 13' ' ' VAL . 39.5 t80 -43.05 -36.96 1.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -44.11 42.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.275 -0.89 . . . . 0.0 109.997 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 t -62.65 -53.1 59.61 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.297 -0.877 . . . . 0.0 110.212 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.79 HG13 HG12 ' A' ' 20' ' ' VAL . 10.2 mm -55.09 -37.51 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.328 -0.857 . . . . 0.0 110.241 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 m -65.71 -33.55 76.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 109.42 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.655 HG22 ' OE2' ' A' ' 44' ' ' GLU . 6.9 m -50.93 -69.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.526 -0.734 . . . . 0.0 110.761 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG3' ' O ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -51.94 -34.87 43.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 110.4 -179.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.971 HD11 ' CE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -68.28 -62.51 1.36 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.241 -0.912 . . . . 0.0 110.724 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.82 0.81 8.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 120.991 -1.068 . . . . 0.0 111.066 -179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.655 ' OE2' HG22 ' A' ' 40' ' ' THR . 8.2 mt-10 -77.05 -38.1 53.41 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.862 -1.149 . . . . 0.0 108.203 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.043 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -101.29 -5.35 25.57 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.237 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.847 ' N ' HD13 ' A' ' 45' ' ' LEU . . . 99.34 32.55 5.73 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.962 HD12 ' CD2' ' A' ' 42' ' ' LEU . 2.4 tt 40.99 25.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.094 -1.239 . . . . 0.0 110.87 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 46' ' ' GLY . 4.9 ttp180 -75.0 -75.28 0.17 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.946 -1.096 . . . . 0.0 110.612 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 50' ' ' TYR . 7.6 p -53.49 -38.96 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.116 -0.99 . . . . 0.0 110.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.971 ' CE2' HD11 ' A' ' 42' ' ' LEU . 8.1 t80 -47.52 -55.01 10.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.293 -0.879 . . . . 0.0 110.03 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -32.68 72.21 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.263 -0.898 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.31 -61.09 2.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.325 -0.859 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' HG3' ' CG2' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -68.25 -26.09 65.51 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 110.545 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' TYR . 13.9 mtt 49.28 27.3 1.83 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.013 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 49.71 -174.7 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.369 -0.832 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.097 -1.002 . . . . 0.0 110.206 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.343 0.592 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 78.13 1.24 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -0.928 . . . . 0.0 110.24 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.792 HG22 ' HG3' ' A' ' 5' ' ' GLN . 7.4 p -93.17 155.23 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.282 -0.886 . . . . 0.0 110.329 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.792 ' HG3' HG22 ' A' ' 4' ' ' VAL . 49.3 mt-30 46.77 -165.39 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.26 -0.9 . . . . 0.0 110.224 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 174.82 117.93 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.161 -0.962 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.42 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 49.0 p90 -46.17 152.17 0.43 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.912 . . . . 0.0 110.167 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 8' ' ' VAL . 53.9 t 53.93 80.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.212 -0.93 . . . . 0.0 110.279 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -175.16 176.49 2.07 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.23 -0.919 . . . . 0.0 110.125 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.589 ' OD2' HD11 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -60.24 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -0.942 . . . . 0.0 110.279 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' SER . 1.8 pp20? -58.34 -15.38 10.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.207 -0.933 . . . . 0.0 110.259 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.599 HG21 HD21 ' A' ' 47' ' ' LEU . 8.5 pt -57.16 -20.95 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.231 -0.918 . . . . 0.0 110.214 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.605 ' HA ' ' CE2' ' A' ' 35' ' ' PHE . 4.8 p -50.65 -43.73 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.292 -0.88 . . . . 0.0 110.233 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.55 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -72.44 -42.09 65.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -0.936 . . . . 0.0 110.616 -179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -74.28 -46.37 41.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.222 -0.924 . . . . 0.0 110.897 -179.389 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.531 ' HB ' ' CE2' ' A' ' 35' ' ' PHE . 48.6 mt -59.9 -33.16 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.111 -0.993 . . . . 0.0 110.414 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.21 -64.31 0.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.179 -0.95 . . . . 0.0 110.585 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HG2' ' N ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -57.24 -23.11 45.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.202 -0.936 . . . . 0.0 110.478 -179.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 29.2 mm -74.93 -63.56 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.324 -0.86 . . . . 0.0 110.567 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 38' ' ' ILE . 18.3 t -54.33 -44.94 67.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.191 -0.943 . . . . 0.0 110.303 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 22' ' ' ARG . 20.7 tt0 -59.75 -58.92 6.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.43 -0.794 . . . . 0.0 111.212 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -42.22 -50.96 4.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.102 -0.999 . . . . 0.0 110.671 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' HG2' ' OG1' ' A' ' 31' ' ' THR . 0.2 OUTLIER -44.39 -71.52 0.08 Allowed 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.976 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -65.89 -33.38 75.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.032 -1.042 . . . . 0.0 109.244 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -43.96 -35.84 2.21 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.67 -0.812 . . . . 0.0 108.899 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -87.99 -25.0 23.36 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.358 -0.839 . . . . 0.0 109.248 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 58.74 37.29 89.67 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.581 ' O ' ' CB ' ' A' ' 29' ' ' LYS . . . -96.46 31.38 2.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.432 -1.04 . . . . 0.0 111.633 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 4.0 mttp 160.52 -162.76 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.679 -0.638 . . . . 0.0 110.02 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -90.0 38.48 0.92 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.83 . . . . 0.0 109.341 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.498 ' OG1' ' HG2' ' A' ' 23' ' ' ARG . 15.1 t -89.15 40.99 1.01 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.576 0.703 . . . . 0.0 109.551 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.502 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 9.4 t70 -85.31 20.81 1.88 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.447 -0.783 . . . . 0.0 110.157 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.793 HG11 HD11 ' A' ' 38' ' ' ILE . 2.1 p -55.56 -158.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.492 -0.755 . . . . 0.0 110.216 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.695 ' C ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -158.74 -179.06 7.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.073 -1.017 . . . . 0.0 110.099 -179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CE2' ' HA ' ' A' ' 13' ' ' VAL . 15.8 t80 -62.78 -55.2 28.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.106 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -42.86 -41.83 3.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.95 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.49 ' HB3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -80.04 -49.45 11.77 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.231 -0.918 . . . . 0.0 110.165 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.793 HD11 HG11 ' A' ' 33' ' ' VAL . 24.9 mm -67.22 -17.72 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.253 -0.905 . . . . 0.0 110.694 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.579 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 1.2 t -74.42 -69.81 0.43 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.17 -0.956 . . . . 0.0 110.477 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 41' ' ' MET . 7.2 t -41.19 -42.69 2.14 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.355 -0.84 . . . . 0.0 110.663 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.54 ' N ' HG23 ' A' ' 40' ' ' THR . 5.0 ptm -73.5 -26.67 61.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.412 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.032 HD12 HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -68.02 -52.77 31.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.169 -0.957 . . . . 0.0 110.622 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -40.18 88.74 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.116 -0.99 . . . . 0.0 110.47 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.53 -28.48 67.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.06 -1.025 . . . . 0.0 109.002 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD13 ' HB ' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -100.59 5.68 44.0 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.797 -0.565 . . . . 0.0 109.982 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . 58.05 25.84 57.4 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.172 -1.571 . . . . 0.0 109.172 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.032 HD23 HD12 ' A' ' 42' ' ' LEU . 0.7 OUTLIER 68.95 2.42 3.55 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.611 -0.935 . . . . 0.0 110.677 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' HA ' ' HB3' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -74.77 -15.85 60.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.062 -1.024 . . . . 0.0 110.442 179.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -43.94 -90.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.21 -0.931 . . . . 0.0 110.504 -179.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 49' ' ' VAL . 7.8 p90 -59.52 -31.55 69.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.785 -1.197 . . . . 0.0 110.14 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.607 ' N ' ' CD1' ' A' ' 50' ' ' TYR . 1.0 OUTLIER -61.66 -20.35 63.32 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.193 -0.942 . . . . 0.0 110.404 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 54' ' ' MET . . . -73.36 -62.0 1.63 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.281 -0.887 . . . . 0.0 110.087 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' MET . 8.9 mm100 -59.97 -22.09 62.08 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.34 -0.85 . . . . 0.0 110.258 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 3.0 mmm 56.79 42.73 26.21 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.326 -0.858 . . . . 0.0 110.165 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -173.42 1.12 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -0.933 . . . . 0.0 110.077 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.223 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.277 0.56 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -168.17 115.51 0.7 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.95 . . . . 0.0 110.244 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.77 120.77 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.276 -0.89 . . . . 0.0 110.245 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.647 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -110.03 27.16 9.87 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 110.159 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 5' ' ' GLN . . . 66.09 122.68 0.02 OUTLIER 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.391 0.615 . . . . 0.0 110.122 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.554 ' C ' HG22 ' A' ' 8' ' ' VAL . 24.9 m-85 -58.86 120.51 9.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.153 -0.967 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.554 HG22 ' C ' ' A' ' 7' ' ' TYR . 14.2 m 33.85 79.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.793 -0.567 . . . . 0.0 110.895 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' GLU . 3.2 t -102.97 146.62 28.07 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.33 -0.856 . . . . 0.0 110.124 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.864 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.13 77.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 110.298 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.7 tt0 -65.7 -15.68 63.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.256 -0.903 . . . . 0.0 110.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.579 ' CD1' HD21 ' A' ' 47' ' ' LEU . 38.6 mt -66.18 -31.01 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.274 -0.891 . . . . 0.0 110.188 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 10' ' ' ASP . 6.1 p -45.03 -38.63 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 110.184 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' N ' HG13 ' A' ' 13' ' ' VAL . 70.0 t80 -72.06 -40.59 68.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.275 -0.891 . . . . 0.0 110.317 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LYS . 38.0 mtpt -68.14 -41.43 81.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.238 -0.914 . . . . 0.0 110.256 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 HG12 ' CD1' ' A' ' 42' ' ' LEU . 44.1 mt -44.17 -46.6 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.157 -0.964 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.96 -20.87 61.67 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.244 -0.91 . . . . 0.0 110.433 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -75.17 -26.33 59.0 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.206 -0.934 . . . . 0.0 110.441 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.9 mt -76.94 -49.39 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.191 -0.943 . . . . 0.0 110.217 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 34' ' ' SER . 11.8 t -58.91 -49.27 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 110.071 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 3.6 tt0 -59.55 -55.79 30.09 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.9 . . . . 0.0 110.619 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 25' ' ' ALA . 1.9 ttt-85 -48.25 -48.99 34.96 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.096 -1.002 . . . . 0.0 110.383 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.533 ' HG2' ' CB ' ' A' ' 31' ' ' THR . 2.4 mpt_? -51.69 -68.63 0.15 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.961 . . . . 0.0 110.178 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HD3' ' HB2' ' A' ' 32' ' ' ASP . 39.6 ttp180 -64.69 -30.61 71.63 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 109.604 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -45.95 -48.67 16.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.219 -0.926 . . . . 0.0 108.682 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -80.04 -18.59 49.72 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.368 -0.833 . . . . 0.0 109.463 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' ARG . . . 62.59 26.24 68.14 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 29' ' ' LYS . . . -111.39 40.34 2.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.393 -1.063 . . . . 0.0 110.804 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' OG1' ' A' ' 31' ' ' THR . 0.0 OUTLIER 179.57 161.67 0.86 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.174 -0.954 . . . . 0.0 110.549 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 m -87.84 40.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.277 -0.889 . . . . 0.0 109.889 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.533 ' CB ' ' HG2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -105.87 44.16 1.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.398 -0.814 . . . . 0.0 109.518 179.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 8.7 p-10 -82.92 12.79 4.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 110.166 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.038 HG21 HD13 ' A' ' 38' ' ' ILE . 21.1 m -57.0 -151.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.397 -0.814 . . . . 0.0 110.522 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.785 ' HA ' HG11 ' A' ' 20' ' ' VAL . 9.1 m -147.59 -154.46 0.55 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.35 -0.844 . . . . 0.0 110.094 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' O ' ' CB ' ' A' ' 39' ' ' SER . 34.1 t80 -71.45 -64.18 0.97 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 110.446 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PHE . 8.4 t -39.6 -40.39 0.88 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.429 -0.794 . . . . 0.0 110.72 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.0 m -72.59 -76.62 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.151 -0.968 . . . . 0.0 110.11 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.038 HD13 HG21 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -51.68 -34.32 16.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.332 -0.855 . . . . 0.0 110.392 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 31.2 t -55.95 -79.05 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 110.25 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 44' ' ' GLU . 24.4 m -41.96 -44.36 3.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.367 -0.833 . . . . 0.0 110.387 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -58.27 4.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 110.295 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' CD1' HG12 ' A' ' 16' ' ' ILE . 12.8 mt -47.18 -61.52 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.499 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -41.71 90.13 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.315 -0.865 . . . . 0.0 110.646 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -60.81 -19.09 58.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.939 -1.101 . . . . 0.0 108.93 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 HD23 HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -100.32 -4.8 28.47 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.772 -0.58 . . . . 0.0 109.943 179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 47' ' ' LEU . . . 77.77 10.74 86.03 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 12' ' ' ILE . 1.6 tp 77.9 -36.89 0.22 Allowed 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.55 -0.971 . . . . 0.0 111.215 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' VAL . 1.2 tmm_? -73.85 -65.56 0.82 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.831 -1.168 . . . . 0.0 110.355 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.681 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 24.6 t -42.06 -29.27 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.339 -0.851 . . . . 0.0 110.331 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CZ ' ' CE ' ' A' ' 54' ' ' MET . 15.6 t80 -45.06 -59.87 2.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.186 -0.946 . . . . 0.0 110.36 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.84 -15.73 5.31 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.314 -0.866 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 49' ' ' VAL . . . -78.48 -9.41 59.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.94 . . . . 0.0 110.521 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' TYR . 8.7 pt20 -89.79 1.47 56.1 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.163 -0.961 . . . . 0.0 110.504 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.481 ' CE ' ' CZ ' ' A' ' 50' ' ' TYR . 30.9 mtt -104.2 28.55 6.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.207 -0.933 . . . . 0.0 110.507 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -123.47 161.69 24.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.145 -0.972 . . . . 0.0 110.197 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 118.066 -0.969 . . . . 0.0 110.231 179.93 . . . . . . . . 1 1 . 1 stop_ save_