data_1d1h_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 1d1h _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 ' 2' ' ' CYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.322 0 CA-C-O 122.284 1.04 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -81.32 95.37 6.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.598 178.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.555 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.7 t80 -52.14 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.878 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 10.7 tp -59.26 115.97 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 28.7 t80 86.37 28.52 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -103.22 126.5 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.331 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 117.0 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.3 p -124.54 135.83 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 111.559 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -79.94 -19.67 47.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 109.995 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -160.08 -176.04 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.348 179.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -71.96 -29.06 63.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.281 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 p -84.06 13.56 4.96 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -110.7 5.56 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 16' ' ' CYS . 34.6 m -115.87 167.48 10.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 111.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.576 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 45.6 m -54.37 -146.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.07 -71.41 0.64 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.263 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -61.29 -11.62 10.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.073 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.7 mt -95.11 156.53 16.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 112.863 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.12 129.83 3.77 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.014 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.449 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 38.5 m -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.78 144.93 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.491 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.9 m95 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.603 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 122.213 1.006 . . . . 0.0 110.547 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.475 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 1.1 mmt180 -72.99 98.19 2.46 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.795 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.647 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -65.96 176.83 1.51 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.813 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.647 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 1.1 mt -40.9 111.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 111.457 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 4.1 m-85 86.86 38.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.516 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.18 130.78 9.65 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.535 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -54.91 113.59 3.74 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.55 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 29.3 p -131.89 141.79 49.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.031 0.443 . . . . 0.0 111.716 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 -18.39 18.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.161 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -144.48 162.84 35.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.067 -179.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.55 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.8 m -63.68 -31.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.704 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.64 2.85 24.04 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.007 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' THR . 9.0 m-20 -96.84 7.7 46.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.194 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 33.4 m -121.47 170.6 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 111.748 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.3 m -56.05 -146.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.65 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -71.78 0.63 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.492 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 4.8 m-70 -62.55 -10.06 10.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.2 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HG ' ' CZ3' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -91.9 166.5 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.17 124.21 1.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.547 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.55 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.46 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.126 0.488 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 25.8 m -106.9 129.16 54.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.697 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.46 144.38 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 10.8 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.604 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 122.117 0.96 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -77.62 91.48 4.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.826 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.578 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 8.7 t80 -54.49 170.83 0.14 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.664 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.578 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -36.85 120.33 0.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 111.459 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 7.8 t80 82.81 24.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.836 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -101.84 119.78 6.6 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.531 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 3' ' ' ARG . . . -45.21 130.4 8.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -141.69 139.36 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 111.7 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -87.6 -21.68 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -149.42 -178.3 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.028 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 11' ' ' THR . 3.8 m -72.27 -31.21 65.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.325 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.64 9.97 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 16' ' ' CYS . 24.6 m -126.32 167.59 15.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.55 0.69 . . . . 0.0 112.06 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.7 m -55.5 -146.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.261 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -92.8 -72.02 0.62 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.635 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -60.96 -11.71 8.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.477 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 2.0 mt -89.35 168.71 12.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.465 0.65 . . . . 0.0 112.495 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.49 121.36 1.09 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.261 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.399 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 12.1 m -107.99 131.46 54.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -127.55 145.0 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 35.1 m95 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.976 0.893 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.63 105.29 11.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.782 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.529 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -62.27 -159.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.713 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 8.1 tp -57.01 130.3 45.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.04 0.447 . . . . 0.0 112.074 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 68.88 23.68 6.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.895 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -100.66 108.51 3.49 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.42 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -34.54 139.97 0.14 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.574 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -150.51 139.3 20.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.811 0.338 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -83.12 -21.74 33.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -154.48 -176.22 5.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.399 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.2 m -73.04 -29.04 62.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.33 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.8 p -78.95 -3.85 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.88 8.75 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 m -123.1 179.17 4.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.544 0.688 . . . . 0.0 111.644 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.67 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.9 m -70.36 -143.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.54 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -91.66 -70.62 0.68 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -63.16 -8.56 8.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.239 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -98.53 146.96 25.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.98 123.56 3.15 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.46 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.525 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.63 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 37.4 m -104.45 131.15 52.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.513 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.76 141.79 50.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.529 ' NE1' HD22 ' A' ' 5' ' ' LEU . 14.6 m95 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 122.248 1.023 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.517 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -85.93 99.46 11.44 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.343 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -55.35 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.785 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.606 HD13 ' CZ2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -55.35 135.2 50.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.498 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 16.4 m-30 66.33 15.96 10.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.517 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -82.46 127.29 7.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.707 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 112.31 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.865 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 3.6 p -118.42 141.22 48.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.768 0.318 . . . . 0.0 111.419 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -21.18 36.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.362 0.601 . . . . 0.0 109.998 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -159.61 -178.0 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.05 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.561 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.1 m -65.45 -31.43 72.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.564 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.4 25.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.292 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -116.14 2.75 13.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 16' ' ' CYS . 28.7 m -114.74 167.43 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.312 0.577 . . . . 0.0 111.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 49.6 m -55.12 -144.51 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.442 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -71.24 0.66 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.388 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 57.3 m170 -61.47 -9.82 6.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.105 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -100.11 163.51 12.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.387 0.613 . . . . 0.0 112.553 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.34 135.71 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.363 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.8 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 111.397 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 121.118 0.485 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 21.7 m -115.59 141.65 47.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.196 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 147.0 40.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CZ2' HD13 ' A' ' 5' ' ' LEU . 6.5 m95 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 110.992 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.572 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 122.406 1.098 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -77.77 101.99 6.96 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.337 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.6 t80 -56.11 -156.19 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 8.9 tp -73.78 122.69 22.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.024 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 83.56 22.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.134 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -102.63 134.3 11.75 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 3' ' ' ARG . . . -58.98 126.32 42.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.316 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.9 p -128.02 139.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -24.49 43.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.497 0.665 . . . . 0.0 109.656 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -160.21 -174.55 4.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.591 179.161 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.55 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.4 m -70.7 -27.29 63.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 0.0 110.093 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -84.9 20.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 10.63 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 16' ' ' CYS . 13.4 m -118.33 166.15 12.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.568 0.699 . . . . 0.0 111.954 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 47.5 m -56.59 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.61 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -73.48 0.54 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.108 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -62.89 -9.49 9.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.184 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -97.97 162.57 13.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.454 0.645 . . . . 0.0 112.544 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.13 131.98 3.0 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.674 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.55 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.9 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.656 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 121.008 0.433 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -112.52 130.77 55.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.58 144.04 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 55.1 m95 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.898 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 122.086 0.946 . . . . 0.0 110.799 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -80.29 101.81 9.14 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.679 179.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.565 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.3 t80 -55.44 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.337 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -63.24 129.09 38.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.582 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 9.1 m-85 69.61 21.87 6.47 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.854 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -90.57 137.61 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.448 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.47 124.02 34.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.95 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 29.1 p -142.67 133.26 25.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 0.0 111.59 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -91.02 -15.46 29.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -147.65 163.74 35.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.346 -179.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.564 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 5.3 m -65.55 -32.26 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.678 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -82.05 8.45 10.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.973 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 11' ' ' THR . 38.2 m-20 -101.66 1.79 38.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.612 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 33.5 m -116.03 171.79 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.388 0.613 . . . . 0.0 111.396 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.63 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 58.7 m -55.51 -147.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.374 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -71.51 0.64 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.357 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 92.0 m-70 -60.81 -11.99 9.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.037 -178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.5 mt -94.86 158.4 15.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.346 0.593 . . . . 0.0 112.297 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 124.91 2.15 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.697 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.564 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.2 t . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 111.254 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.751 0.31 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 12.8 m -115.59 126.24 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.7 144.59 50.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 5' ' ' LEU . 8.5 m95 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.693 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.754 0.788 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.487 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -81.33 106.9 13.66 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.66 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.75 -157.04 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.936 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 13.8 tp -69.21 126.91 31.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 81.33 18.53 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -99.24 126.3 8.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.772 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.02 130.59 23.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.673 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.6 p -145.06 132.69 20.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.433 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -21.93 41.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.196 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -151.43 -177.77 6.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.523 179.275 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.0 m -73.54 -28.45 61.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.367 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -81.75 5.16 19.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -101.59 12.72 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 29.3 m -127.54 -176.9 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.482 0.658 . . . . 0.0 111.515 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.2 m -72.32 -146.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.843 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -70.96 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.227 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.444 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 6.7 m-70 -59.73 -11.86 5.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.7 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.588 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.8 mt -96.17 148.3 22.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 120.77 2.12 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.941 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.6 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.688 0.28 . . . . 0.0 111.275 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.298 0.571 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.485 ' HB2' HD21 ' A' ' 19' ' ' LEU . 12.7 m -105.34 133.81 49.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.23 50.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.4 m95 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' HG3' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -124.39 104.96 9.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.592 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.575 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -56.34 -163.68 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.81 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.6 ' CD2' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.66 129.35 41.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.572 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 77.38 14.33 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.616 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.91 125.67 7.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.495 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.48 130.26 47.72 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.199 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 7.8 p -138.64 139.82 38.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -22.56 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.268 0.556 . . . . 0.0 110.073 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.89 -177.67 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.1 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.531 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.7 m -74.17 -29.41 61.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.286 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 8.21 16.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' OD1' HG22 ' A' ' 11' ' ' THR . 1.4 m-20 -100.36 0.1 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.236 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 30.0 m -111.59 176.83 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.611 . . . . 0.0 111.401 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 30.7 m -67.7 -146.05 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.97 -1.013 . . . . 0.0 112.55 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -91.59 -69.8 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.472 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -59.81 -10.83 4.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.986 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.575 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -100.01 168.11 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 112.886 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 128.91 2.17 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 46.4 p90 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 121.25 0.548 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.534 ' CB ' HD21 ' A' ' 19' ' ' LEU . 34.1 m -112.67 135.48 53.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.721 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.84 148.36 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' A' ' 5' ' ' LEU . 21.6 m95 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 122.288 1.042 . . . . 0.0 111.396 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -76.75 106.18 8.27 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.329 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.13 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.11 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.83 123.88 19.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.227 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 48.3 m-85 72.68 31.21 1.7 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -102.56 121.2 7.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.195 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -42.27 126.57 4.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.222 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p -142.08 131.9 24.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 4.6 mmtm -80.03 -19.12 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.237 0.541 . . . . 0.0 109.958 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -154.76 -175.82 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 1.8 m -75.72 -28.59 58.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -77.85 -8.47 58.1 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -88.99 10.46 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.145 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 28.2 m -124.32 176.84 6.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.386 0.612 . . . . 0.0 111.659 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.668 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.5 m -67.03 -145.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -91.45 -70.46 0.68 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.459 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -62.22 -8.39 5.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.269 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.2 mt -97.93 145.46 26.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.01 118.59 2.33 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.128 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.197 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 13.8 m -101.5 124.76 47.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.088 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -111.9 141.06 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.894 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.477 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 8.7 m95 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.324 0 CA-C-O 122.176 0.988 . . . . 0.0 110.784 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -82.53 98.11 8.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.682 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -53.01 -166.17 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.702 -179.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 2.1 tp -57.34 133.55 55.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m-85 72.49 14.92 5.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.23 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.81 129.82 9.83 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.46 127.21 44.38 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.638 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.6 p -137.97 136.94 37.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 111.266 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -22.53 38.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.248 0.547 . . . . 0.0 110.463 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -157.52 -177.86 6.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.531 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.552 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 12.2 m -65.36 -32.74 74.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.339 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -86.24 40.45 0.88 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.28 12.22 3.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 29.4 m -128.55 170.59 13.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.543 0.687 . . . . 0.0 111.922 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.622 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.2 m -57.43 -146.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.631 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -71.02 0.66 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.448 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.99 -10.01 8.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.16 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.9 mt -97.32 155.02 17.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.45 128.93 3.52 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.181 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.0 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.899 0.349 . . . . 0.0 111.145 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.0 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.995 0.426 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 29.2 m -107.37 139.85 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -127.14 144.7 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CE2' HD13 ' A' ' 5' ' ' LEU . 7.8 m95 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 110.71 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.645 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.516 -0.338 0 CA-C-O 122.209 1.004 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.45 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -75.35 99.95 4.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.682 -179.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.06 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.606 179.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 30' ' ' TRP . 6.8 tp -68.65 117.98 11.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.794 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 2.5 t80 85.06 30.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -105.13 130.53 10.26 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.474 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.27 115.96 8.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.402 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.0 p -125.06 141.63 52.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 0.0 111.4 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' C ' HG21 ' A' ' 11' ' ' THR . 0.2 OUTLIER -85.22 -21.13 29.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.275 0.56 . . . . 0.0 110.054 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER -155.07 -175.16 5.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.273 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.6 m -73.1 -28.37 62.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.3 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.2 p -83.76 12.45 5.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.15 5.36 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 25.1 m -118.23 175.7 5.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.4 0.619 . . . . 0.0 111.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.3 m -62.65 -141.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.876 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -91.23 -75.17 0.48 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.321 0.581 . . . . 0.0 112.15 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.5 -9.18 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.785 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.552 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.1 mt -93.94 133.14 37.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.327 0.584 . . . . 0.0 112.389 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.1 128.52 6.87 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.554 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 111.258 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.135 0.493 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 20.1 m -111.97 130.47 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.998 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.22 144.85 50.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CE2' HD13 ' A' ' 5' ' ' LEU . 66.9 m95 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.574 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 122.185 0.993 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -82.77 95.01 7.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.433 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.551 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.26 -162.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.942 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -55.07 127.79 30.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.029 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 64.2 m-85 69.47 26.78 5.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.176 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -98.19 102.36 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.424 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -32.78 120.85 0.21 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.1 p -128.67 145.36 51.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.947 0.403 . . . . 0.0 111.331 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -88.43 -23.36 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.357 0.598 . . . . 0.0 110.07 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -152.84 -176.42 5.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.106 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.53 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.9 m -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.49 7.7 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.27 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.0 OUTLIER -100.37 9.31 42.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.174 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' CYS . 16.7 m -124.51 166.87 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.536 0.684 . . . . 0.0 111.701 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 48.8 m -54.34 -145.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.387 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -92.04 -73.17 0.56 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.125 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.409 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 22.0 m170 -61.04 -11.75 9.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.035 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.73 152.4 18.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.326 0.584 . . . . 0.0 112.144 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.28 132.02 4.8 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.634 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.223 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 58.4 m -107.34 129.92 54.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -129.04 144.29 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CE2' HD23 ' A' ' 5' ' ' LEU . 10.0 m95 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 122.18 0.99 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -86.3 99.87 11.88 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.671 178.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -53.19 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.373 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.652 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -64.25 121.68 14.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.308 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 77.54 26.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.356 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 140.91 15.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.29 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -59.65 120.21 21.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 10.5 p -134.97 133.02 39.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 111.569 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -18.18 38.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.206 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -154.44 -178.25 7.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.575 179.182 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.8 m -71.24 -32.36 68.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.346 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -81.7 5.67 17.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -99.25 13.41 33.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' O ' ' A' ' 16' ' ' CYS . 33.5 m -124.91 167.77 14.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.505 0.669 . . . . 0.0 111.941 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.7 m -53.05 -145.73 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.633 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.77 -70.49 0.69 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 70.2 m80 -65.51 -9.55 27.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.53 -177.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -94.21 160.22 14.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.63 0.729 . . . . 0.0 112.547 -178.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.81 123.37 1.7 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.063 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 11' ' ' THR . 4.6 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 111.472 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 12.6 p90 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.1 0.476 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 33.6 m -105.24 139.93 39.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.131 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.27 142.92 39.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.652 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 8.6 m95 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 122.366 1.079 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.438 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -76.22 94.04 3.48 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.514 -1.221 . . . . 0.0 109.985 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.65 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.787 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -55.08 125.21 19.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.878 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 68.99 33.0 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.93 125.09 8.46 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.15 111.11 1.17 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.307 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.8 p -124.3 139.32 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.614 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -24.01 22.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.461 0.648 . . . . 0.0 109.848 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -148.77 179.76 7.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.23 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.6 m -68.84 -33.31 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.686 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -79.74 5.34 13.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -96.03 6.99 47.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 16' ' ' CYS . 15.8 m -120.73 169.36 10.47 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.754 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 34.9 m -57.09 -146.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.388 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -91.68 -70.62 0.68 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -63.33 -9.37 11.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.226 -178.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -97.86 165.48 11.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.42 0.629 . . . . 0.0 112.456 -179.201 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.25 130.77 2.99 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.143 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.968 0.413 . . . . 0.0 111.256 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 13.5 p90 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.226 0.536 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 20.0 m -117.74 150.35 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -143.08 146.26 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 7.7 m95 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.605 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 122.319 1.057 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.78 98.09 3.41 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.392 -179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.56 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.4 t80 -57.87 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -65.98 132.41 48.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 75.84 6.98 3.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.143 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -80.59 145.21 26.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.554 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -73.09 112.32 3.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.258 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -125.87 142.97 51.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.564 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -98.81 -22.22 15.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.496 0.665 . . . . 0.0 110.015 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -141.82 164.98 28.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.66 -179.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -65.6 -32.29 73.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.187 0.518 . . . . 0.0 109.941 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 8.6 9.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 11' ' ' THR . 16.1 m-20 -99.62 -3.28 33.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.474 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 31.2 m -110.31 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.567 0.699 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.0 m -61.89 -146.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.615 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -91.3 -70.75 0.67 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.233 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 89.4 m-70 -61.11 -10.44 6.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.848 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -99.33 163.82 12.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.31 131.15 3.0 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.676 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.6 t . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 7' ' ' GLY . 40.9 p90 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 27.0 m -114.75 133.06 56.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.345 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.51 145.86 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.529 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 18.7 m95 . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.816 0.341 . . . . 0.0 111.052 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 122.034 0.921 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.534 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.8 102.24 9.86 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.623 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 1.3 t80 -66.66 174.45 2.86 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.754 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.623 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -32.35 122.79 0.33 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 70.8 m-85 75.87 27.28 0.96 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.173 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.534 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.59 117.93 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.319 -0.944 . . . . 0.0 112.354 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.3 130.47 11.11 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.936 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 18.8 p -144.64 137.57 26.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.175 0.512 . . . . 0.0 111.937 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.51 -16.96 29.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.99 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -149.81 163.69 37.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.261 -179.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.519 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -64.34 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.606 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.11 20.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' THR . 64.9 m-20 -98.26 16.2 22.16 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.196 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 m -129.5 173.16 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.489 0.662 . . . . 0.0 111.569 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.611 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.8 m -60.08 -143.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.387 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.37 -73.13 0.56 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.346 -177.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -62.48 -9.88 9.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.087 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.99 143.12 26.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.4 126.01 4.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.439 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 56.1 m -98.36 120.74 39.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -117.06 140.68 49.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.557 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 29' ' ' ALA . 20.2 m95 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.789 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 122.468 1.127 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -77.3 99.72 5.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 3.6 t80 -70.22 174.09 5.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.03 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.6 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 1.4 mt -29.58 125.44 0.14 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 50.5 m-85 70.04 32.01 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.664 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 3' ' ' ARG . . . -103.19 127.3 9.13 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.523 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.82 113.81 5.97 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.45 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.456 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -121.69 144.77 48.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.466 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' C ' HG23 ' A' ' 11' ' ' THR . 0.4 OUTLIER -83.3 -24.26 32.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.246 0.546 . . . . 0.0 109.92 179.13 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -160.32 -178.26 6.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.42 179.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.556 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 18.0 m -62.02 -33.78 74.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.452 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -86.1 39.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 3.5 m-20 -135.3 4.94 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 16' ' ' CYS . 21.3 m -116.84 169.91 9.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.248 0.547 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.584 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.5 m -55.53 -140.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.342 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -92.2 -74.59 0.51 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.336 0.589 . . . . 0.0 112.244 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 42.6 m-70 -64.13 -10.39 22.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.018 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -95.57 137.87 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.61 136.11 9.85 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.848 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.556 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.1 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.984 0.421 . . . . 0.0 111.324 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.942 0.401 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 66.7 m -116.45 125.72 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -130.65 145.98 52.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CZ2' HD11 ' A' ' 5' ' ' LEU . 11.0 m95 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 122.08 0.943 . . . . 0.0 111.221 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -81.41 102.75 10.7 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.301 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.533 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -59.66 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.135 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -58.3 126.44 27.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.329 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 69.51 29.09 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.195 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.447 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -94.76 135.35 12.4 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -60.41 117.16 10.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.128 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 12.7 p -128.58 138.24 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.84 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' OD2' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -84.94 -23.48 28.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.45 0.643 . . . . 0.0 109.877 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -152.38 -178.49 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.12 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.544 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.3 m -68.79 -32.35 72.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.76 8.69 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.413 ' OD2' ' HG3' ' A' ' 10' ' ' LYS . 43.7 m-20 -100.46 8.73 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.05 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 22.5 m -122.39 174.49 6.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 111.715 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.644 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.8 m -62.1 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -70.45 0.69 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.357 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.3 -13.32 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.004 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -95.75 157.13 16.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.61 124.03 1.92 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.967 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.7 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 11.1 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.055 0.455 . . . . 0.0 111.656 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 20.5 m -114.28 134.46 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.971 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.65 144.46 50.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.531 ' CZ2' ' HG ' ' A' ' 5' ' ' LEU . 33.4 m95 . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 121.187 0.518 . . . . 0.0 110.671 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 122.237 1.017 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.452 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.53 96.92 6.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.242 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.505 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 86.3 t80 -61.52 177.69 0.37 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.724 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -33.97 126.94 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 5' ' ' LEU . 46.4 m-85 71.55 21.5 4.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.842 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -90.34 126.86 8.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.4 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.31 114.21 5.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.949 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 19.9 p -125.93 136.7 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 111.612 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -85.41 -22.91 28.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.251 0.548 . . . . 0.0 109.953 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.59 -179.27 6.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 178.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.539 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.3 m -70.73 -28.69 64.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.509 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.5 m -84.28 15.15 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.99 4.32 23.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.218 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' CYS . 29.7 m -119.54 166.2 13.43 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.921 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.5 m -54.54 -144.6 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.579 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.73 -71.62 0.63 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.018 -177.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 38.4 m170 -60.95 -10.91 6.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.883 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.568 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -100.77 142.47 32.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.91 131.42 6.29 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.866 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.1 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.975 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 72.0 m -109.8 119.92 40.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.758 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.42 140.7 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.469 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 18.9 m95 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.606 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 122.005 0.907 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -90.51 98.07 11.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.247 179.2 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -54.04 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.677 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.582 HD22 ' CE2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -62.18 122.79 16.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.894 179.573 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.499 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 79.45 26.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.06 127.02 9.01 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.26 114.89 4.61 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 6.2 p -125.62 146.49 49.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.1 0.476 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -27.9 16.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 0.0 109.776 179.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -143.58 -178.95 6.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.209 179.019 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.52 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -70.73 -31.53 68.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.676 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 t -81.69 0.82 37.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.349 -179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.16 12.27 20.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 16' ' ' CYS . 25.4 m -122.56 166.9 14.07 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.493 0.663 . . . . 0.0 112.094 -179.539 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.6 m -54.17 -144.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.322 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -72.38 0.59 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.355 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -63.31 -10.12 14.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.236 -177.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -96.94 160.67 14.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.417 0.627 . . . . 0.0 112.407 -179.42 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.6 126.89 2.03 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.24 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.1 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.223 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 24.9 p90 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.129 0.49 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 73.9 m -110.1 131.47 55.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.219 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -119.97 144.31 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CE2' HD22 ' A' ' 5' ' ' LEU . 11.3 m95 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.774 0.321 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -54.07 97.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.284 1.04 . . . . 0.0 111.108 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -81.32 95.37 6.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.598 178.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.555 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.7 t80 -52.14 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.878 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 10.7 tp -59.26 115.97 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 28.7 t80 86.37 28.52 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -103.22 126.5 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.331 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 117.0 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.3 p -124.54 135.83 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 111.559 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -79.94 -19.67 47.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 109.995 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -160.08 -176.04 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.348 179.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -71.96 -29.06 63.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.281 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 p -84.06 13.56 4.96 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -110.7 5.56 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 16' ' ' CYS . 34.6 m -115.87 167.48 10.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 111.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.576 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 45.6 m -54.37 -146.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.07 -71.41 0.64 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.263 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -61.29 -11.62 10.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.073 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.555 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.7 mt -95.11 156.53 16.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 112.863 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.12 129.83 3.77 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.014 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t -77.03 123.17 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.449 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' ARG . 11.8 mmtm -106.53 117.1 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.604 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -55.78 79.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.235 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -178.22 -69.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.832 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.64 ' CB ' ' CE1' ' A' ' 27' ' ' TYR . 93.5 m-20 -70.56 -30.85 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER 88.25 -19.28 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.491 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.64 ' CE1' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -90.86 -167.16 1.75 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 111.138 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 38.5 m -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.78 144.93 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.491 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.9 m95 -42.05 150.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER 173.63 91.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.579 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' O ' ' CB ' ' A' ' 33' ' ' THR . 22.0 t80 177.5 99.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.541 ' CB ' ' O ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER 87.71 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 -179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.28 94.06 7.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.739 0.304 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.603 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 62.65 98.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.213 1.006 . . . . 0.0 110.547 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.475 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 1.1 mmt180 -72.99 98.19 2.46 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.795 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.647 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -65.96 176.83 1.51 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.813 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.647 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 1.1 mt -40.9 111.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 111.457 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 4.1 m-85 86.86 38.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.516 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.18 130.78 9.65 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.535 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -54.91 113.59 3.74 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.55 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 29.3 p -131.89 141.79 49.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.031 0.443 . . . . 0.0 111.716 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 -18.39 18.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.161 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -144.48 162.84 35.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.067 -179.396 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.55 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.8 m -63.68 -31.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.704 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.64 2.85 24.04 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.007 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' THR . 9.0 m-20 -96.84 7.7 46.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.194 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 33.4 m -121.47 170.6 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 111.748 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.603 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.3 m -56.05 -146.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.65 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -71.78 0.63 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.492 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 4.8 m-70 -62.55 -10.06 10.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.2 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HG ' ' CZ3' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -91.9 166.5 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.17 124.21 1.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.547 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.55 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.6 t -69.71 139.29 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.46 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -121.25 115.14 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.21 71.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.185 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 168.77 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 1.4 m-20 -67.23 -34.04 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.722 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.5 tttp 87.23 -22.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 25' ' ' ASP . 2.1 p90 -113.83 -172.62 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.488 . . . . 0.0 111.064 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 25.8 m -106.9 129.16 54.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.697 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.46 144.38 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 10.8 m95 -43.49 148.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 31.6 t70 176.56 72.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' OG1' ' A' ' 33' ' ' THR . 33.6 t80 177.87 137.95 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.608 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 32' ' ' PHE . 70.5 p 54.71 -90.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' THR . 9.5 t80 -35.09 -35.26 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.144 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' THR . 48.5 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.727 0.298 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.604 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 49.69 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.117 0.96 . . . . 0.0 110.494 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -77.62 91.48 4.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.826 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.578 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 8.7 t80 -54.49 170.83 0.14 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.664 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -36.85 120.33 0.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 111.459 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 7.8 t80 82.81 24.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.836 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -101.84 119.78 6.6 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.531 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 3' ' ' ARG . . . -45.21 130.4 8.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -141.69 139.36 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 111.7 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -87.6 -21.68 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -149.42 -178.3 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.028 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 11' ' ' THR . 3.8 m -72.27 -31.21 65.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.325 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.64 9.97 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' O ' ' O ' ' A' ' 16' ' ' CYS . 24.6 m -126.32 167.59 15.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.55 0.69 . . . . 0.0 112.06 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.604 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.7 m -55.5 -146.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.261 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -92.8 -72.02 0.62 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.635 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -60.96 -11.71 8.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.477 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 2.0 mt -89.35 168.71 12.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.465 0.65 . . . . 0.0 112.495 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.49 121.36 1.09 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.261 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t -68.38 102.93 1.5 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.5 mmmt -85.04 115.66 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -57.56 77.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 171.03 -53.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.784 0.325 . . . . 0.0 111.381 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 2.5 m-20 -69.32 -30.59 68.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER 87.92 -21.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -109.0 -168.19 1.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 12.1 m -107.99 131.46 54.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -127.55 145.0 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 35.1 m95 -39.22 149.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER 167.42 53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER 170.55 116.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' SER . 11.9 p -109.5 179.22 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' O ' ' OG ' ' A' ' 35' ' ' SER . 15.5 t80 64.36 -70.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' THR . 52.4 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.67 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 175.74 105.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.976 0.893 . . . . 0.0 111.116 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.431 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.63 105.29 11.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.782 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.529 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -62.27 -159.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.713 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 8.1 tp -57.01 130.3 45.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.04 0.447 . . . . 0.0 112.074 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 68.88 23.68 6.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.895 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -100.66 108.51 3.49 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.42 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -34.54 139.97 0.14 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.574 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -150.51 139.3 20.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.811 0.338 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -83.12 -21.74 33.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -154.48 -176.22 5.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.399 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.2 m -73.04 -29.04 62.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.33 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.8 p -78.95 -3.85 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.88 8.75 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 m -123.1 179.17 4.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.544 0.688 . . . . 0.0 111.644 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.67 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.9 m -70.36 -143.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.54 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -91.66 -70.62 0.68 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.3 m-70 -63.16 -8.56 8.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.239 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -98.53 146.96 25.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.98 123.56 3.15 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.46 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.525 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.7 t -75.59 123.9 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.63 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.22 134.52 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 111.054 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 8.6 p90 -55.56 136.86 49.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER 82.29 -8.75 1.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 24.2 t0 -81.26 -47.94 12.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 5.8 tmtm? 88.21 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.221 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 29.4 p90 -117.75 -171.64 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 37.4 m -104.45 131.15 52.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.513 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.76 141.79 50.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.529 ' NE1' HD22 ' A' ' 5' ' ' LEU . 14.6 m95 -36.93 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -74.84 51.86 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 33' ' ' THR . 28.2 t80 -30.58 92.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER 170.96 142.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 55.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.866 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.78 0.324 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.579 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 176.63 96.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.248 1.023 . . . . 0.0 110.616 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.517 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -85.93 99.46 11.44 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.343 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.558 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -55.35 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.785 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.606 HD13 ' CZ2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -55.35 135.2 50.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.498 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 16.4 m-30 66.33 15.96 10.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -82.46 127.29 7.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.707 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 112.31 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.865 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 3.6 p -118.42 141.22 48.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.768 0.318 . . . . 0.0 111.419 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -21.18 36.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.362 0.601 . . . . 0.0 109.998 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -159.61 -178.0 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.05 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.561 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.1 m -65.45 -31.43 72.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.564 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.4 25.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.292 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -116.14 2.75 13.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 16' ' ' CYS . 28.7 m -114.74 167.43 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.312 0.577 . . . . 0.0 111.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 49.6 m -55.12 -144.51 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.442 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -71.24 0.66 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.388 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 57.3 m170 -61.47 -9.82 6.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.105 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -100.11 163.51 12.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.387 0.613 . . . . 0.0 112.553 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.34 135.71 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.363 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.8 t -74.12 117.78 16.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 111.397 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' PHE . 2.6 mtpp -118.23 119.07 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.723 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 2.9 m-30 -43.54 173.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 10.1 ttm180 91.64 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.378 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -112.57 -32.09 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 111.089 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 23.3 ttmt 84.84 -13.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.347 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -82.4 -167.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 21.7 m -115.59 141.65 47.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.196 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 147.0 40.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CZ2' HD13 ' A' ' 5' ' ' LEU . 6.5 m95 -45.0 145.65 0.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 110.992 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 13.1 t0 175.34 73.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.955 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 80.1 t80 169.4 90.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.7 p -130.07 147.93 51.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 66.46 -160.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.572 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 172.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.406 1.098 . . . . 0.0 110.686 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -77.77 101.99 6.96 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.337 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.6 t80 -56.11 -156.19 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 8.9 tp -73.78 122.69 22.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.024 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 83.56 22.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.134 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -102.63 134.3 11.75 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -58.98 126.32 42.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.316 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.9 p -128.02 139.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -24.49 43.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.497 0.665 . . . . 0.0 109.656 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -160.21 -174.55 4.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.591 179.161 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.55 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.4 m -70.7 -27.29 63.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 0.0 110.093 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -84.9 20.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 10.63 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 16' ' ' CYS . 13.4 m -118.33 166.15 12.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.568 0.699 . . . . 0.0 111.954 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 47.5 m -56.59 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.61 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -73.48 0.54 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.108 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -62.89 -9.49 9.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.184 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -97.97 162.57 13.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.454 0.645 . . . . 0.0 112.544 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.13 131.98 3.0 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.674 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.55 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.9 t -74.42 118.77 17.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.656 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 3.1 mtmt -94.16 154.86 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.061 0.458 . . . . 0.0 111.705 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -32.92 121.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.455 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mtt180 30.54 38.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.51 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 9.9 t70 -75.62 -27.77 58.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.2 ttmt 86.37 -39.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.226 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -121.44 -169.23 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.433 . . . . 0.0 111.195 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -112.52 130.77 55.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.58 144.04 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 55.1 m95 -39.54 152.48 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 7.9 t0 91.04 97.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -84.24 133.83 34.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.433 ' OG1' HG22 ' A' ' 12' ' ' THR . 81.0 p -96.14 159.14 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 42.11 68.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.745 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 36.5 tp10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.837 0.351 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 170.58 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 122.086 0.946 . . . . 0.0 110.799 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -80.29 101.81 9.14 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.679 179.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.565 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.3 t80 -55.44 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.337 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -63.24 129.09 38.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.582 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 9.1 m-85 69.61 21.87 6.47 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.854 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -90.57 137.61 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.448 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.47 124.02 34.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.95 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 29.1 p -142.67 133.26 25.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 0.0 111.59 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -91.02 -15.46 29.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -147.65 163.74 35.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.346 -179.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.564 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 5.3 m -65.55 -32.26 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.678 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -82.05 8.45 10.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.973 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 11' ' ' THR . 38.2 m-20 -101.66 1.79 38.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.612 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 33.5 m -116.03 171.79 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.388 0.613 . . . . 0.0 111.396 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.63 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 58.7 m -55.51 -147.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.374 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -71.51 0.64 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.357 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 92.0 m-70 -60.81 -11.99 9.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.037 -178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.565 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.5 mt -94.86 158.4 15.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.346 0.593 . . . . 0.0 112.297 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 32' ' ' PHE . . . -146.03 124.91 2.15 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.697 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.564 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.2 t -68.28 96.33 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 111.254 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.7 mtpt -87.48 169.86 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 45.68 1.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.352 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -104.72 -92.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.775 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 67.2 m-20 -110.09 47.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.058 0.456 . . . . 0.0 110.46 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 3.1 pttt 37.84 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.672 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -113.27 -170.93 1.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.751 0.31 . . . . 0.0 110.946 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 12.8 m -115.59 126.24 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.7 144.59 50.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 5' ' ' LEU . 8.5 m95 -42.87 146.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 3.1 t0 82.35 96.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 26.3 p90 -86.06 51.76 2.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -111.53 -22.5 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.772 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 33' ' ' THR . 13.3 p90 42.02 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.219 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.967 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.693 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -42.36 116.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.754 0.788 . . . . 0.0 111.328 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.487 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -81.33 106.9 13.66 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.66 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.75 -157.04 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.936 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 13.8 tp -69.21 126.91 31.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 81.33 18.53 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -99.24 126.3 8.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.772 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -49.02 130.59 23.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.673 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.6 p -145.06 132.69 20.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.433 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -21.93 41.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.196 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -151.43 -177.77 6.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.523 179.275 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.0 m -73.54 -28.45 61.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.367 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -81.75 5.16 19.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -101.59 12.72 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 29.3 m -127.54 -176.9 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.482 0.658 . . . . 0.0 111.515 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.2 m -72.32 -146.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.843 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -70.96 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.227 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.444 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 6.7 m-70 -59.73 -11.86 5.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.7 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.588 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.8 mt -96.17 148.3 22.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 120.77 2.12 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.941 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.6 t -73.28 133.87 44.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.688 0.28 . . . . 0.0 111.275 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 6.6 mttt -84.65 156.6 21.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -33.45 91.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 111.564 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 34.29 36.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.502 ' HB2' ' HB2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -60.88 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.012 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 26.2 ttpt -176.63 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.681 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -119.75 -172.14 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.298 0.571 . . . . 0.0 111.649 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.485 ' HB2' HD21 ' A' ' 19' ' ' LEU . 12.7 m -105.34 133.81 49.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.23 50.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.626 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 8.4 m95 -43.39 151.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 9.5 t70 110.79 91.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.954 0.784 . . . . 0.0 110.687 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.481 ' O ' ' OG1' ' A' ' 33' ' ' THR . 24.6 t80 -56.89 138.12 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 32' ' ' PHE . 3.2 p 70.67 -162.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.835 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' ' N ' ' A' ' 35' ' ' SER . 8.3 t80 -169.03 -69.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.609 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.443 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 1.1 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 79.98 138.32 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' HG3' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -124.39 104.96 9.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.592 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.575 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -56.34 -163.68 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.81 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.6 ' CD2' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.66 129.35 41.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.572 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 77.38 14.33 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.616 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.91 125.67 7.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.495 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -55.48 130.26 47.72 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.199 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 7.8 p -138.64 139.82 38.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -22.56 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.268 0.556 . . . . 0.0 110.073 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.89 -177.67 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.1 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.531 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.7 m -74.17 -29.41 61.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.286 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 8.21 16.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' OD1' HG22 ' A' ' 11' ' ' THR . 1.4 m-20 -100.36 0.1 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.236 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 30.0 m -111.59 176.83 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.611 . . . . 0.0 111.401 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 30.7 m -67.7 -146.05 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.97 -1.013 . . . . 0.0 112.55 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -91.59 -69.8 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.472 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -59.81 -10.83 4.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.986 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.575 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -100.01 168.11 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 112.886 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 128.91 2.17 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.0 t -79.74 139.9 37.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.43 165.03 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 25.7 p90 -36.01 92.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' LYS . 8.6 ptt85 36.32 39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.127 0.489 . . . . 0.0 110.728 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -86.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 1.9 ttpt 176.95 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 46.4 p90 -119.1 -170.4 1.91 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.25 0.548 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.534 ' CB ' HD21 ' A' ' 19' ' ' LEU . 34.1 m -112.67 135.48 53.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.721 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.84 148.36 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.6 ' CE2' ' CD2' ' A' ' 5' ' ' LEU . 21.6 m95 -48.59 151.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.015 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' O ' ' CB ' ' A' ' 32' ' ' PHE . 2.3 t70 158.05 105.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.048 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 5.1 t80 110.06 116.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.148 0.905 . . . . 0.0 110.16 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -121.91 -11.51 8.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.74 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' O ' ' CZ ' ' A' ' 32' ' ' PHE . 54.5 p90 -128.59 115.2 17.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.92 0.391 . . . . 0.0 111.212 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.3 mm-40 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.965 0.412 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 87.34 102.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.288 1.042 . . . . 0.0 111.396 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -76.75 106.18 8.27 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.329 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.13 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.11 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.83 123.88 19.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.227 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 48.3 m-85 72.68 31.21 1.7 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -102.56 121.2 7.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.195 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -42.27 126.57 4.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.222 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p -142.08 131.9 24.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 4.6 mmtm -80.03 -19.12 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.237 0.541 . . . . 0.0 109.958 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -154.76 -175.82 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 1.8 m -75.72 -28.59 58.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -77.85 -8.47 58.1 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -88.99 10.46 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.145 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 28.2 m -124.32 176.84 6.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.386 0.612 . . . . 0.0 111.659 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.668 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.5 m -67.03 -145.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -91.45 -70.46 0.68 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.459 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ASP . 34.8 m-70 -62.22 -8.39 5.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.269 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.2 mt -97.93 145.46 26.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.01 118.59 2.33 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.128 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.2 t -69.89 116.95 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.197 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -109.5 124.1 50.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -60.63 98.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 161.84 -56.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -80.59 -16.77 53.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 -179.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER 72.35 -5.46 1.79 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.996 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 25' ' ' ASP . 2.4 p90 -118.53 -171.43 2.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.817 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 13.8 m -101.5 124.76 47.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.088 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -111.9 141.06 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.894 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.477 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 8.7 m95 -37.28 157.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 18' ' ' HIS . 1.5 p30 -72.71 52.3 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.242 0.544 . . . . 0.0 111.2 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -39.07 89.69 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.2 p -156.93 153.6 28.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.85 78.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.787 0.327 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -179.5 99.39 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 122.176 0.988 . . . . 0.0 110.784 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -82.53 98.11 8.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.682 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.561 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -53.01 -166.17 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.702 -179.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 2.1 tp -57.34 133.55 55.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m-85 72.49 14.92 5.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.23 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.81 129.82 9.83 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.46 127.21 44.38 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.638 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.6 p -137.97 136.94 37.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 111.266 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -22.53 38.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.248 0.547 . . . . 0.0 110.463 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -157.52 -177.86 6.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.531 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.552 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 12.2 m -65.36 -32.74 74.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.339 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -86.24 40.45 0.88 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.28 12.22 3.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 29.4 m -128.55 170.59 13.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.543 0.687 . . . . 0.0 111.922 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.622 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.2 m -57.43 -146.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.631 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -71.02 0.66 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.448 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 m80 -61.99 -10.01 8.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.16 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.9 mt -97.32 155.02 17.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.45 128.93 3.52 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.181 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.0 t -73.18 132.16 42.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.899 0.349 . . . . 0.0 111.145 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -85.42 172.28 11.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.31 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -50.21 85.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.181 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 47.71 24.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 30.9 t70 -47.89 -68.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.753 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 15.7 tttp 158.34 -45.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 16.0 p90 -120.46 -170.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 29.2 m -107.37 139.85 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -127.14 144.7 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.488 ' CE2' HD13 ' A' ' 5' ' ' LEU . 7.8 m95 -37.28 160.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' HIS . 2.1 t0 -73.45 49.27 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -43.93 121.08 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.463 ' O ' ' O ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -93.42 -45.89 7.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.107 0.48 . . . . 0.0 110.86 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 33' ' ' THR . 54.3 p90 38.8 -163.94 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.891 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.992 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.924 0.393 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.645 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 176.63 102.69 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 122.209 1.004 . . . . 0.0 110.584 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -75.35 99.95 4.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.682 -179.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.06 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.606 179.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 30' ' ' TRP . 6.8 tp -68.65 117.98 11.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.794 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 2.5 t80 85.06 30.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -105.13 130.53 10.26 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.474 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.27 115.96 8.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.402 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.0 p -125.06 141.63 52.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 0.0 111.4 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' C ' HG21 ' A' ' 11' ' ' THR . 0.2 OUTLIER -85.22 -21.13 29.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.275 0.56 . . . . 0.0 110.054 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER -155.07 -175.16 5.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.273 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.6 m -73.1 -28.37 62.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.3 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.2 p -83.76 12.45 5.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.15 5.36 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 25.1 m -118.23 175.7 5.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.4 0.619 . . . . 0.0 111.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.645 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.3 m -62.65 -141.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.876 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -91.23 -75.17 0.48 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.321 0.581 . . . . 0.0 112.15 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.5 -9.18 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.785 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.552 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 1.1 mt -93.94 133.14 37.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.327 0.584 . . . . 0.0 112.389 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.1 128.52 6.87 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.554 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.0 t -77.49 154.43 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 111.258 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -137.46 116.41 12.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 2.4 m-85 -52.24 92.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 1.3 mtt180 160.48 -79.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.573 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 9.5 m-20 -55.08 -36.44 65.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.162 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 12.1 tttt 88.27 -22.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.812 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -91.55 -175.01 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 111.403 -179.721 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 20.1 m -111.97 130.47 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.998 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.22 144.85 50.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.574 ' CE2' HD13 ' A' ' 5' ' ' LEU . 66.9 m95 -44.64 133.06 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' OD1' ' CE1' ' A' ' 32' ' ' PHE . 4.6 t70 16.5 51.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.195 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 31.5 p90 43.79 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 HG21 ' C ' ' A' ' 32' ' ' PHE . 68.5 p -141.72 162.73 34.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.07 112.36 8.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.049 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.792 0.33 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.574 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 166.41 95.33 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.185 0.993 . . . . 0.0 110.717 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -82.77 95.01 7.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.433 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.551 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.26 -162.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.942 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -55.07 127.79 30.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.029 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 64.2 m-85 69.47 26.78 5.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.176 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -98.19 102.36 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.424 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -32.78 120.85 0.21 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.1 p -128.67 145.36 51.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.947 0.403 . . . . 0.0 111.331 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -88.43 -23.36 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.357 0.598 . . . . 0.0 110.07 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -152.84 -176.42 5.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.106 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.53 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.9 m -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.49 7.7 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.27 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.0 OUTLIER -100.37 9.31 42.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.174 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' O ' ' O ' ' A' ' 16' ' ' CYS . 16.7 m -124.51 166.87 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.536 0.684 . . . . 0.0 111.701 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 48.8 m -54.34 -145.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.387 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 5.5 mmtt -92.04 -73.17 0.56 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.125 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 22.0 m170 -61.04 -11.75 9.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.035 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.73 152.4 18.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.326 0.584 . . . . 0.0 112.144 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.28 132.02 4.8 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.634 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.3 t -78.66 116.22 18.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.223 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -85.85 -177.4 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -91.64 122.1 33.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 83.5 -41.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.529 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 24.5 p-10 -35.37 -48.32 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 20.1 tttt 87.03 -24.96 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.69 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -113.61 -173.72 2.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.976 0.417 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 58.4 m -107.34 129.92 54.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -129.04 144.29 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CE2' HD23 ' A' ' 5' ' ' LEU . 10.0 m95 -36.08 142.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 2.0 m-20 152.22 101.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.511 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 5.9 t80 -144.17 109.43 5.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.3 p -107.87 168.22 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.034 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.61 37.41 3.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.867 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 69.59 100.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.18 0.99 . . . . 0.0 110.946 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -86.3 99.87 11.88 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.671 178.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.47 ' O ' ' O ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -53.19 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.373 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.652 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -64.25 121.68 14.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.308 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 77.54 26.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.356 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 140.91 15.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.29 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -59.65 120.21 21.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 10.5 p -134.97 133.02 39.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 111.569 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -18.18 38.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.206 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -154.44 -178.25 7.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.575 179.182 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.8 m -71.24 -32.36 68.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.346 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -81.7 5.67 17.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -99.25 13.41 33.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.489 ' O ' ' O ' ' A' ' 16' ' ' CYS . 33.5 m -124.91 167.77 14.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.505 0.669 . . . . 0.0 111.941 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.7 m -53.05 -145.73 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.633 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.77 -70.49 0.69 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 70.2 m80 -65.51 -9.55 27.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.53 -177.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -94.21 160.22 14.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.63 0.729 . . . . 0.0 112.547 -178.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.81 123.37 1.7 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.063 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 11' ' ' THR . 4.6 t -71.27 151.25 44.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 111.472 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HD3' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -142.21 125.52 16.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.222 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -66.35 83.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.285 -179.739 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 175.78 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 6.4 m-20 -95.45 -31.26 13.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 12.7 tttt 88.82 -26.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.5 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 12.6 p90 -97.51 -171.22 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 33.6 m -105.24 139.93 39.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.131 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB2' ' HD3' ' A' ' 22' ' ' LYS . . . -138.27 142.92 39.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.652 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 8.6 m95 -38.51 148.16 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER 177.84 82.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 3.9 t80 174.91 95.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 34' ' ' PHE . 50.6 p -117.14 -104.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 33' ' ' THR . 24.2 m-85 66.33 115.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.751 0.31 . . . . 0.0 110.632 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.906 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 4.0 mm-40 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.906 0.384 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -35.25 96.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.366 1.079 . . . . 0.0 110.909 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.438 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -76.22 94.04 3.48 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.514 -1.221 . . . . 0.0 109.985 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.554 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.65 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.787 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -55.08 125.21 19.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.878 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 68.99 33.0 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.93 125.09 8.46 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.15 111.11 1.17 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.307 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.8 p -124.3 139.32 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.614 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -24.01 22.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.461 0.648 . . . . 0.0 109.848 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -148.77 179.76 7.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.23 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.6 m -68.84 -33.31 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.686 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -79.74 5.34 13.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -96.03 6.99 47.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 16' ' ' CYS . 15.8 m -120.73 169.36 10.47 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.754 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 34.9 m -57.09 -146.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.388 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -91.68 -70.62 0.68 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -63.33 -9.37 11.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.226 -178.32 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD1' ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -97.86 165.48 11.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.42 0.629 . . . . 0.0 112.456 -179.201 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.25 130.77 2.99 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.143 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.4 t -69.18 122.64 19.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.968 0.413 . . . . 0.0 111.256 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -92.14 -165.67 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.399 -179.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' LYS . 25.9 p90 -51.98 -161.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.554 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 25' ' ' ASP . 1.8 ttm180 -41.85 -23.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.056 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.567 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 1.2 p-10 -25.77 -44.24 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.201 0.313 . . . . 0.0 111.362 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 2.7 tptm 87.63 -16.81 0.34 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 13.5 p90 -106.43 -172.84 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.226 0.536 . . . . 0.0 111.959 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 20.0 m -117.74 150.35 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 22' ' ' LYS . . . -143.08 146.26 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 7.7 m95 -37.72 153.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 25.0 t70 95.02 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.243 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CD1' HG21 ' A' ' 33' ' ' THR . 17.1 t80 -63.52 111.04 2.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.561 HG21 ' CD1' ' A' ' 32' ' ' PHE . 1.2 p 54.77 -157.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -108.38 -25.46 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.824 -179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.605 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 62.51 100.28 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.319 1.057 . . . . 0.0 110.458 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.78 98.09 3.41 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.392 -179.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.56 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.4 t80 -57.87 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -65.98 132.41 48.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 75.84 6.98 3.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.143 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -80.59 145.21 26.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.554 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -73.09 112.32 3.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.258 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -125.87 142.97 51.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.564 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -98.81 -22.22 15.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.496 0.665 . . . . 0.0 110.015 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -141.82 164.98 28.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.66 -179.317 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -65.6 -32.29 73.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.187 0.518 . . . . 0.0 109.941 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 8.6 9.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 11' ' ' THR . 16.1 m-20 -99.62 -3.28 33.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.474 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 31.2 m -110.31 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.567 0.699 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.0 m -61.89 -146.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.615 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -91.3 -70.75 0.67 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.233 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' ASP . 89.4 m-70 -61.11 -10.44 6.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.848 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.57 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -99.33 163.82 12.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.506 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.31 131.15 3.0 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.676 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.6 t -73.74 121.45 20.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.69 161.59 14.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.61 145.81 50.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.52 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.38 14.96 5.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.137 0.494 . . . . 0.0 109.879 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -144.76 68.94 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.61 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 20.6 pttt -45.5 -19.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.576 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 7' ' ' GLY . 40.9 p90 -83.61 -172.51 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.917 0.389 . . . . 0.0 110.77 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 27.0 m -114.75 133.06 56.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.345 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.51 145.86 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.529 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 18.7 m95 -41.99 154.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.816 0.341 . . . . 0.0 111.052 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 7.6 m-20 89.07 92.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' CG2' ' A' ' 33' ' ' THR . 2.9 t80 -62.58 116.85 5.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 32' ' ' PHE . 12.8 t 44.96 -154.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 75.6 -165.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.912 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.75 0.309 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 70.5 102.5 0.06 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 122.034 0.921 . . . . 0.0 110.606 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.8 102.24 9.86 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.623 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 1.3 t80 -66.66 174.45 2.86 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.754 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.623 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -32.35 122.79 0.33 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 70.8 m-85 75.87 27.28 0.96 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.173 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.59 117.93 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.319 -0.944 . . . . 0.0 112.354 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.3 130.47 11.11 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.936 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 18.8 p -144.64 137.57 26.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.175 0.512 . . . . 0.0 111.937 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.51 -16.96 29.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.99 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -149.81 163.69 37.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.261 -179.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.519 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -64.34 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.606 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.11 20.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' THR . 64.9 m-20 -98.26 16.2 22.16 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.196 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 m -129.5 173.16 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.489 0.662 . . . . 0.0 111.569 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.8 m -60.08 -143.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.387 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.37 -73.13 0.56 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.346 -177.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' ASP . 78.9 m-70 -62.48 -9.88 9.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.087 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.99 143.12 26.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.4 126.01 4.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.439 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.5 t -69.11 129.46 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -121.81 142.21 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.133 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.67 59.99 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.458 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.05 -74.47 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.601 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 17.3 m-20 -74.09 -26.89 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.01 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 23.7 mtpp 89.66 -10.77 0.38 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.377 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -102.76 -171.58 1.98 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.783 179.316 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 56.1 m -98.36 120.74 39.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -117.06 140.68 49.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.557 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 29' ' ' ALA . 20.2 m95 -35.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.789 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 18' ' ' HIS . 75.9 m-20 -73.22 51.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.424 . . . . 0.0 110.788 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' ASP . 23.1 t80 -32.69 91.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.34 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -59.27 -179.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.645 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER 56.99 98.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.847 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HG2' ' NH1' ' A' ' 3' ' ' ARG . 4.7 pt-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.652 0.263 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -43.9 95.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 122.468 1.127 . . . . 0.0 110.557 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -77.3 99.72 5.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 3.6 t80 -70.22 174.09 5.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.03 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.6 ' N ' ' CG ' ' A' ' 4' ' ' TYR . 1.4 mt -29.58 125.44 0.14 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 50.5 m-85 70.04 32.01 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.664 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 3' ' ' ARG . . . -103.19 127.3 9.13 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.523 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.82 113.81 5.97 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.45 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.456 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -121.69 144.77 48.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.466 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' C ' HG23 ' A' ' 11' ' ' THR . 0.4 OUTLIER -83.3 -24.26 32.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.246 0.546 . . . . 0.0 109.92 179.13 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -160.32 -178.26 6.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.42 179.152 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.556 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 18.0 m -62.02 -33.78 74.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.452 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -86.1 39.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 3.5 m-20 -135.3 4.94 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 16' ' ' CYS . 21.3 m -116.84 169.91 9.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.248 0.547 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.584 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.5 m -55.53 -140.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.342 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -92.2 -74.59 0.51 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.336 0.589 . . . . 0.0 112.244 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 42.6 m-70 -64.13 -10.39 22.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.018 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -95.57 137.87 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.61 136.11 9.85 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.848 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.556 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.1 t -67.03 131.69 46.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.984 0.421 . . . . 0.0 111.324 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 149.16 38.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.787 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.83 51.67 1.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -120.17 -63.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 15.7 t70 -114.51 0.47 14.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HG2' ' C ' ' A' ' 25' ' ' ASP . 19.1 mmtp 77.06 14.34 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -169.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 66.7 m -116.45 125.72 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -130.65 145.98 52.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CZ2' HD11 ' A' ' 5' ' ' LEU . 11.0 m95 -37.16 149.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.437 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -168.05 90.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 111.125 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 71.9 t80 178.09 74.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.966 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 32' ' ' PHE . 1.5 p 69.26 160.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.046 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 179.5 46.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.913 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' CYS . 8.5 pt-20 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -35.07 105.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.08 0.943 . . . . 0.0 111.221 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.447 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -81.41 102.75 10.7 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.301 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -59.66 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.135 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -58.3 126.44 27.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.329 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 69.51 29.09 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.195 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -94.76 135.35 12.4 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -60.41 117.16 10.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.128 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 12.7 p -128.58 138.24 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.84 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -84.94 -23.48 28.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.45 0.643 . . . . 0.0 109.877 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -152.38 -178.49 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.12 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.544 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.3 m -68.79 -32.35 72.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.76 8.69 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' OD2' ' HG3' ' A' ' 10' ' ' LYS . 43.7 m-20 -100.46 8.73 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.05 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 22.5 m -122.39 174.49 6.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 111.715 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.644 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.8 m -62.1 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -70.45 0.69 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.357 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.3 -13.32 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.004 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -95.75 157.13 16.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.61 124.03 1.92 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.967 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.7 t -65.32 124.75 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -80.63 95.24 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 42.2 54.22 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 7.9 mtm180 42.07 30.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.59 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -168.09 -52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.283 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 11.1 p90 -112.81 -171.85 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 0.0 111.656 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 20.5 m -114.28 134.46 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.971 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.65 144.46 50.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.532 ' O ' ' N ' ' A' ' 32' ' ' PHE . 33.4 m95 -44.88 118.54 1.66 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.187 0.518 . . . . 0.0 110.671 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 17.62 50.05 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -115.93 129.19 56.29 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.333 -179.629 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.2 p -148.15 126.79 12.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.749 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 60.89 -71.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.908 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.863 0.364 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 172.9 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.237 1.017 . . . . 0.0 110.55 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.53 96.92 6.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.242 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.505 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 86.3 t80 -61.52 177.69 0.37 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.724 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -33.97 126.94 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 5' ' ' LEU . 46.4 m-85 71.55 21.5 4.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.842 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -90.34 126.86 8.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.4 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.31 114.21 5.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.949 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 19.9 p -125.93 136.7 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 111.612 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -85.41 -22.91 28.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.251 0.548 . . . . 0.0 109.953 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.59 -179.27 6.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 178.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.539 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.3 m -70.73 -28.69 64.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.509 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.5 m -84.28 15.15 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.99 4.32 23.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.218 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' O ' ' O ' ' A' ' 16' ' ' CYS . 29.7 m -119.54 166.2 13.43 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.921 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.5 m -54.54 -144.6 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.579 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.73 -71.62 0.63 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.018 -177.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 38.4 m170 -60.95 -10.91 6.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.883 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.568 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -100.77 142.47 32.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.91 131.42 6.29 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.866 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.1 t -71.03 123.93 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.975 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 1.3 mptm? -110.05 166.82 10.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.311 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -86.98 159.28 19.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.78 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.94 58.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.55 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 176.54 -59.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.502 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.6 mttp 88.78 3.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.676 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' ' CB ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -102.17 -175.71 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.843 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 72.0 m -109.8 119.92 40.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.758 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.42 140.7 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.469 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 18.9 m95 -35.32 155.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.668 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' PHE . 51.9 m-20 -74.91 50.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ASP . 5.9 t80 -36.33 126.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.257 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.7 p -47.4 148.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -132.47 25.77 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.008 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 3.0 mt-10 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.606 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 166.47 105.04 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.005 0.907 . . . . 0.0 111.335 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -90.51 98.07 11.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.247 179.2 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.7 t80 -54.04 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.677 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.582 HD22 ' CE2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -62.18 122.79 16.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.894 179.573 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.499 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 79.45 26.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.06 127.02 9.01 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -54.26 114.89 4.61 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 6.2 p -125.62 146.49 49.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.1 0.476 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.69 -27.9 16.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 0.0 109.776 179.046 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -143.58 -178.95 6.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.209 179.019 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.52 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -70.73 -31.53 68.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.676 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 t -81.69 0.82 37.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.349 -179.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.16 12.27 20.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' O ' ' O ' ' A' ' 16' ' ' CYS . 25.4 m -122.56 166.9 14.07 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.493 0.663 . . . . 0.0 112.094 -179.539 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.606 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.6 m -54.17 -144.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.322 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -72.38 0.59 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.355 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 31' ' ' ASP . 50.1 m170 -63.31 -10.12 14.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.236 -177.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' CD2' ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -96.94 160.67 14.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.417 0.627 . . . . 0.0 112.407 -179.42 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.6 126.89 2.03 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.24 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.1 t -71.37 131.66 43.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.223 -179.271 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HD3' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -96.15 108.14 20.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' ARG . 21.8 m-85 33.52 62.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.452 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 19.4 ttm180 35.05 38.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' HB3' ' HD3' ' A' ' 22' ' ' LYS . 18.5 p-10 -55.78 -52.03 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.2 OUTLIER 164.66 -45.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.46 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 24.9 p90 -120.12 -174.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 111.718 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 73.9 m -110.1 131.47 55.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.219 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -119.97 144.31 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CE2' HD22 ' A' ' 5' ' ' LEU . 11.3 m95 -34.87 157.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' HIS . 10.8 t0 -67.62 55.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' ASP . 41.2 t80 -25.76 99.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.68 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.7 p -82.03 -174.69 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.528 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -153.79 -55.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 -179.893 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.322 0 CA-C-O 122.284 1.04 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.32 95.37 6.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.598 178.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.7 t80 -52.14 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.878 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.796 ' HA ' HD21 ' A' ' 19' ' ' LEU . 10.7 tp -59.26 115.97 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 28.7 t80 86.37 28.52 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -103.22 126.5 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.331 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 117.0 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.3 p -124.54 135.83 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 111.559 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -79.94 -19.67 47.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 109.995 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -160.08 -176.04 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.348 179.294 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -71.96 -29.06 63.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.281 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 p -84.06 13.56 4.96 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -110.7 5.56 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 34.6 m -115.87 167.48 10.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 111.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 45.6 m -54.37 -146.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.07 -71.41 0.64 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.263 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 62.1 m-70 -61.29 -11.62 10.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.073 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mt -95.11 156.53 16.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 112.863 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.12 129.83 3.77 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.014 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.449 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 38.5 m -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.78 144.93 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.496 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.9 m95 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.612 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 122.213 1.006 . . . . 0.0 110.547 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 1.1 mmt180 -72.99 98.19 2.46 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.795 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.647 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -65.96 176.83 1.51 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.813 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.845 ' HA ' HD21 ' A' ' 19' ' ' LEU . 1.1 mt -40.9 111.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 111.457 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 5' ' ' LEU . 4.1 m-85 86.86 38.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.516 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.18 130.78 9.65 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.535 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -54.91 113.59 3.74 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.55 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 29.3 p -131.89 141.79 49.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.031 0.443 . . . . 0.0 111.716 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 -18.39 18.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.161 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -144.48 162.84 35.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.067 -179.396 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.8 m -63.68 -31.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.704 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.64 2.85 24.04 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.007 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' THR . 9.0 m-20 -96.84 7.7 46.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.194 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.4 m -121.47 170.6 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 111.748 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.612 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.3 m -56.05 -146.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.65 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -71.78 0.63 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.492 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 4.8 m-70 -62.55 -10.06 10.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.2 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -91.9 166.5 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.17 124.21 1.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.547 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.46 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.126 0.488 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.674 ' HB2' HD22 ' A' ' 19' ' ' LEU . 25.8 m -106.9 129.16 54.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.697 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.46 144.38 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 5' ' ' LEU . 10.8 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.616 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 122.117 0.96 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.62 91.48 4.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.826 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.578 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 8.7 t80 -54.49 170.83 0.14 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.664 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.857 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -36.85 120.33 0.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 111.459 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 7.8 t80 82.81 24.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.836 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -101.84 119.78 6.6 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.531 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -45.21 130.4 8.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -141.69 139.36 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 111.7 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -87.6 -21.68 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -149.42 -178.3 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.028 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 11' ' ' THR . 3.8 m -72.27 -31.21 65.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.325 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.64 9.97 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 24.6 m -126.32 167.59 15.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.55 0.69 . . . . 0.0 112.06 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.7 m -55.5 -146.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.261 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -92.8 -72.02 0.62 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.635 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -60.96 -11.71 8.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.477 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 5' ' ' LEU . 2.0 mt -89.35 168.71 12.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.465 0.65 . . . . 0.0 112.495 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.49 121.36 1.09 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.261 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.7 t . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.399 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.1 m -107.99 131.46 54.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -127.55 145.0 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 35.1 m95 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.976 0.893 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.63 105.29 11.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.782 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -62.27 -159.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.713 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.923 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.1 tp -57.01 130.3 45.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.04 0.447 . . . . 0.0 112.074 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 68.88 23.68 6.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.895 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -100.66 108.51 3.49 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.42 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -34.54 139.97 0.14 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.574 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -150.51 139.3 20.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.811 0.338 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -83.12 -21.74 33.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -154.48 -176.22 5.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.399 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.526 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.2 m -73.04 -29.04 62.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.33 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.8 p -78.95 -3.85 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.88 8.75 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 17.8 m -123.1 179.17 4.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.544 0.688 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.9 m -70.36 -143.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.54 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -91.66 -70.62 0.68 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 3.3 m-70 -63.16 -8.56 8.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.239 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.923 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -98.53 146.96 25.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.98 123.56 3.15 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.46 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.63 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.693 ' HB2' HD22 ' A' ' 19' ' ' LEU . 37.4 m -104.45 131.15 52.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.513 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.76 141.79 50.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CE2' HD13 ' A' ' 5' ' ' LEU . 14.6 m95 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 122.248 1.023 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -85.93 99.46 11.44 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.343 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.806 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -55.35 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.785 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.35 135.2 50.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.498 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 16.4 m-30 66.33 15.96 10.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.518 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -82.46 127.29 7.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.707 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 112.31 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.865 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 3.6 p -118.42 141.22 48.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.768 0.318 . . . . 0.0 111.419 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -21.18 36.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.362 0.601 . . . . 0.0 109.998 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -159.61 -178.0 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.05 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.572 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.1 m -65.45 -31.43 72.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.564 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.4 25.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.292 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -116.14 2.75 13.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.7 m -114.74 167.43 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.312 0.577 . . . . 0.0 111.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 49.6 m -55.12 -144.51 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.442 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -71.24 0.66 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.388 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 57.3 m170 -61.47 -9.82 6.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.105 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -100.11 163.51 12.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.387 0.613 . . . . 0.0 112.553 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.34 135.71 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.363 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.572 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.8 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 111.397 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 121.118 0.485 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.599 ' HB2' HD22 ' A' ' 19' ' ' LEU . 21.7 m -115.59 141.65 47.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.196 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 147.0 40.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 6.5 m95 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 110.992 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 122.406 1.098 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.77 101.99 6.96 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.337 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.6 t80 -56.11 -156.19 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.9 tp -73.78 122.69 22.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.024 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 83.56 22.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.134 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -102.63 134.3 11.75 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 3' ' ' ARG . . . -58.98 126.32 42.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.316 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.9 p -128.02 139.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -24.49 43.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.497 0.665 . . . . 0.0 109.656 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -160.21 -174.55 4.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.591 179.161 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.553 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.4 m -70.7 -27.29 63.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 0.0 110.093 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -84.9 20.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 10.63 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 13.4 m -118.33 166.15 12.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.568 0.699 . . . . 0.0 111.954 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 47.5 m -56.59 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.61 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -73.48 0.54 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.108 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -62.89 -9.49 9.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.184 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -97.97 162.57 13.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.454 0.645 . . . . 0.0 112.544 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.13 131.98 3.0 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.674 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.9 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.656 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 121.008 0.433 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -112.52 130.77 55.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.58 144.04 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 5' ' ' LEU . 55.1 m95 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 122.086 0.946 . . . . 0.0 110.799 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -80.29 101.81 9.14 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.679 179.423 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.3 t80 -55.44 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.337 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.741 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.24 129.09 38.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.582 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 9.1 m-85 69.61 21.87 6.47 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.854 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -90.57 137.61 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.448 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.47 124.02 34.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.95 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 29.1 p -142.67 133.26 25.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 0.0 111.59 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -91.02 -15.46 29.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -147.65 163.74 35.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.346 -179.287 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 5.3 m -65.55 -32.26 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.678 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -82.05 8.45 10.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.973 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 11' ' ' THR . 38.2 m-20 -101.66 1.79 38.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.612 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 33.5 m -116.03 171.79 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.388 0.613 . . . . 0.0 111.396 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.634 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 58.7 m -55.51 -147.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.374 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -71.51 0.64 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.357 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 92.0 m-70 -60.81 -11.99 9.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.037 -178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.5 mt -94.86 158.4 15.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.346 0.593 . . . . 0.0 112.297 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 124.91 2.15 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.697 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.2 t . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 111.254 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.751 0.31 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.598 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.8 m -115.59 126.24 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.7 144.59 50.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.723 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 8.5 m95 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.696 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.754 0.788 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -81.33 106.9 13.66 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.66 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.595 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.75 -157.04 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.936 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.691 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.8 tp -69.21 126.91 31.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 81.33 18.53 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -99.24 126.3 8.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.772 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -49.02 130.59 23.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.673 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.6 p -145.06 132.69 20.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.433 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -21.93 41.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.196 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -151.43 -177.77 6.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.523 179.275 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.539 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.0 m -73.54 -28.45 61.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.367 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -81.75 5.16 19.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -101.59 12.72 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 29.3 m -127.54 -176.9 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.482 0.658 . . . . 0.0 111.515 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.696 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.2 m -72.32 -146.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.843 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -70.96 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.227 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 6.7 m-70 -59.73 -11.86 5.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.7 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.8 mt -96.17 148.3 22.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 120.77 2.12 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.941 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.6 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.688 0.28 . . . . 0.0 111.275 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.298 0.571 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.643 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.7 m -105.34 133.81 49.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.23 50.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.4 m95 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -124.39 104.96 9.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.592 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.635 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -56.34 -163.68 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.81 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.028 HD23 ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.66 129.35 41.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.572 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.475 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER 77.38 14.33 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.616 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.91 125.67 7.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.495 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.48 130.26 47.72 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.199 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 7.8 p -138.64 139.82 38.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -22.56 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.268 0.556 . . . . 0.0 110.073 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.845 HG23 ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -149.89 -177.67 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.1 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.7 m -74.17 -29.41 61.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.286 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 8.21 16.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.4 m-20 -100.36 0.1 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.236 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 30.0 m -111.59 176.83 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.611 . . . . 0.0 111.401 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.669 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 30.7 m -67.7 -146.05 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.97 -1.013 . . . . 0.0 112.55 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -91.59 -69.8 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.472 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -59.81 -10.83 4.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.986 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -100.01 168.11 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 112.886 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 128.91 2.17 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 46.4 p90 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 121.25 0.548 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.79 ' HB2' HD22 ' A' ' 19' ' ' LEU . 34.1 m -112.67 135.48 53.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.721 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.84 148.36 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 1.028 ' CE2' HD23 ' A' ' 5' ' ' LEU . 21.6 m95 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 122.288 1.042 . . . . 0.0 111.396 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.75 106.18 8.27 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.329 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.582 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.13 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.11 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.899 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.83 123.88 19.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.227 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 48.3 m-85 72.68 31.21 1.7 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -102.56 121.2 7.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.195 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -42.27 126.57 4.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.222 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p -142.08 131.9 24.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 4.6 mmtm -80.03 -19.12 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.237 0.541 . . . . 0.0 109.958 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -154.76 -175.82 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 1.8 m -75.72 -28.59 58.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -77.85 -8.47 58.1 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -88.99 10.46 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.145 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 28.2 m -124.32 176.84 6.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.386 0.612 . . . . 0.0 111.659 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.5 m -67.03 -145.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -91.45 -70.46 0.68 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.459 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -62.22 -8.39 5.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.269 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.2 mt -97.93 145.46 26.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.01 118.59 2.33 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.128 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.197 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.748 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m -101.5 124.76 47.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.088 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -111.9 141.06 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.894 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 8.7 m95 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.324 0 CA-C-O 122.176 0.988 . . . . 0.0 110.784 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -82.53 98.11 8.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.682 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -53.01 -166.17 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.702 -179.523 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.714 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.1 tp -57.34 133.55 55.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m-85 72.49 14.92 5.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.23 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.81 129.82 9.83 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.46 127.21 44.38 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.638 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.6 p -137.97 136.94 37.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 111.266 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -22.53 38.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.248 0.547 . . . . 0.0 110.463 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -157.52 -177.86 6.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.531 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.561 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 12.2 m -65.36 -32.74 74.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.339 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -86.24 40.45 0.88 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.28 12.22 3.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 29.4 m -128.55 170.59 13.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.543 0.687 . . . . 0.0 111.922 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.622 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.2 m -57.43 -146.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.631 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -71.02 0.66 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.448 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.99 -10.01 8.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.16 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.9 mt -97.32 155.02 17.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.45 128.93 3.52 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.181 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.0 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.899 0.349 . . . . 0.0 111.145 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.0 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.995 0.426 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 29.2 m -107.37 139.85 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -127.14 144.7 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.674 ' CE2' HD13 ' A' ' 5' ' ' LEU . 7.8 m95 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 110.71 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.516 -0.338 0 CA-C-O 122.209 1.004 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -75.35 99.95 4.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.682 -179.534 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.755 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.06 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.606 179.49 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 30' ' ' TRP . 6.8 tp -68.65 117.98 11.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.794 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 2.5 t80 85.06 30.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -105.13 130.53 10.26 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.474 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.27 115.96 8.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.402 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.0 p -125.06 141.63 52.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 0.0 111.4 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.22 -21.13 29.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.275 0.56 . . . . 0.0 110.054 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER -155.07 -175.16 5.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.273 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.547 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.6 m -73.1 -28.37 62.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.3 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.2 p -83.76 12.45 5.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.15 5.36 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.1 m -118.23 175.7 5.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.4 0.619 . . . . 0.0 111.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' A' ' 19' ' ' LEU . 56.3 m -62.65 -141.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.876 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -91.23 -75.17 0.48 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.321 0.581 . . . . 0.0 112.15 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.5 -9.18 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.785 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.1 mt -93.94 133.14 37.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.327 0.584 . . . . 0.0 112.389 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.1 128.52 6.87 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.554 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 111.258 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.135 0.493 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 20.1 m -111.97 130.47 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.998 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.22 144.85 50.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CE2' HD13 ' A' ' 5' ' ' LEU . 66.9 m95 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 122.185 0.993 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.481 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.77 95.01 7.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.433 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.26 -162.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.942 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.07 127.79 30.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.029 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 64.2 m-85 69.47 26.78 5.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.176 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -98.19 102.36 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.424 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -32.78 120.85 0.21 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.1 p -128.67 145.36 51.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.947 0.403 . . . . 0.0 111.331 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -88.43 -23.36 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.357 0.598 . . . . 0.0 110.07 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -152.84 -176.42 5.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.106 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.9 m -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.49 7.7 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.27 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.0 OUTLIER -100.37 9.31 42.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.174 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 16.7 m -124.51 166.87 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.536 0.684 . . . . 0.0 111.701 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 48.8 m -54.34 -145.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.387 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -92.04 -73.17 0.56 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.125 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 22.0 m170 -61.04 -11.75 9.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.035 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -94.73 152.4 18.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.326 0.584 . . . . 0.0 112.144 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.28 132.02 4.8 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.634 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.223 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 58.4 m -107.34 129.92 54.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -129.04 144.29 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 10.0 m95 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.626 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 122.18 0.99 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.509 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -86.3 99.87 11.88 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.671 178.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.19 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.373 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.778 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.25 121.68 14.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.308 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 77.54 26.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.356 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 140.91 15.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.29 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -59.65 120.21 21.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 10.5 p -134.97 133.02 39.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 111.569 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -18.18 38.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.206 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -154.44 -178.25 7.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.575 179.182 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.8 m -71.24 -32.36 68.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.346 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -81.7 5.67 17.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -99.25 13.41 33.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.5 m -124.91 167.77 14.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.505 0.669 . . . . 0.0 111.941 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.626 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.7 m -53.05 -145.73 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.633 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.77 -70.49 0.69 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 70.2 m80 -65.51 -9.55 27.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.53 -177.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -94.21 160.22 14.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.63 0.729 . . . . 0.0 112.547 -178.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.81 123.37 1.7 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.063 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 11' ' ' THR . 4.6 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 111.472 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 12.6 p90 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.1 0.476 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB2' HD22 ' A' ' 19' ' ' LEU . 33.6 m -105.24 139.93 39.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.131 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.27 142.92 39.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.652 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 8.6 m95 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 122.366 1.079 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.22 94.04 3.48 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.514 -1.221 . . . . 0.0 109.985 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.89 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.65 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.787 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.08 125.21 19.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.878 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 68.99 33.0 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.93 125.09 8.46 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -51.15 111.11 1.17 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.307 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.8 p -124.3 139.32 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.614 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -24.01 22.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.461 0.648 . . . . 0.0 109.848 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -148.77 179.76 7.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.23 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.6 m -68.84 -33.31 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.686 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -79.74 5.34 13.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.523 ' CG ' HG23 ' A' ' 11' ' ' THR . 77.2 m-20 -96.03 6.99 47.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 15.8 m -120.73 169.36 10.47 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.754 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 34.9 m -57.09 -146.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.388 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -91.68 -70.62 0.68 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -63.33 -9.37 11.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.226 -178.32 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.89 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -97.86 165.48 11.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.42 0.629 . . . . 0.0 112.456 -179.201 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.25 130.77 2.99 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.143 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.968 0.413 . . . . 0.0 111.256 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 13.5 p90 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.226 0.536 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.0 m -117.74 150.35 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -143.08 146.26 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 7.7 m95 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 122.319 1.057 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.78 98.09 3.41 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.392 -179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.797 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.4 t80 -57.87 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -65.98 132.41 48.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 75.84 6.98 3.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.143 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -80.59 145.21 26.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.554 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -73.09 112.32 3.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.258 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -125.87 142.97 51.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.564 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -98.81 -22.22 15.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.496 0.665 . . . . 0.0 110.015 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -141.82 164.98 28.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.66 -179.317 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -65.6 -32.29 73.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.187 0.518 . . . . 0.0 109.941 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 8.6 9.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -99.62 -3.28 33.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.474 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 31.2 m -110.31 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.567 0.699 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.617 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.0 m -61.89 -146.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.615 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -91.3 -70.75 0.67 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.233 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 89.4 m-70 -61.11 -10.44 6.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.848 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -99.33 163.82 12.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.506 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.31 131.15 3.0 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.676 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.6 t . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' GLY . 40.9 p90 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.544 ' HB2' HD22 ' A' ' 19' ' ' LEU . 27.0 m -114.75 133.06 56.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.345 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.51 145.86 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.529 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 18.7 m95 . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.816 0.341 . . . . 0.0 111.052 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 122.034 0.921 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.8 102.24 9.86 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.671 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.3 t80 -66.66 174.45 2.86 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.754 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.828 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -32.35 122.79 0.33 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 5' ' ' LEU . 70.8 m-85 75.87 27.28 0.96 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.173 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.59 117.93 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.319 -0.944 . . . . 0.0 112.354 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.3 130.47 11.11 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.936 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 18.8 p -144.64 137.57 26.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.175 0.512 . . . . 0.0 111.937 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.51 -16.96 29.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.99 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -149.81 163.69 37.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.261 -179.284 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.52 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -64.34 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.606 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.11 20.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' THR . 64.9 m-20 -98.26 16.2 22.16 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.196 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.6 m -129.5 173.16 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.489 0.662 . . . . 0.0 111.569 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.8 m -60.08 -143.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.387 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.37 -73.13 0.56 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.346 -177.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -62.48 -9.88 9.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.087 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.99 143.12 26.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.48 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.4 126.01 4.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.439 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 56.1 m -98.36 120.74 39.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -117.06 140.68 49.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.557 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 29' ' ' ALA . 20.2 m95 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.789 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 122.468 1.127 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -77.3 99.72 5.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.898 ' HA ' HD13 ' A' ' 19' ' ' LEU . 3.6 t80 -70.22 174.09 5.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.03 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.634 ' CA ' HD21 ' A' ' 19' ' ' LEU . 1.4 mt -29.58 125.44 0.14 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 50.5 m-85 70.04 32.01 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.664 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 3' ' ' ARG . . . -103.19 127.3 9.13 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.523 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -60.82 113.81 5.97 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.45 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 6.9 p -121.69 144.77 48.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.466 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -83.3 -24.26 32.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.246 0.546 . . . . 0.0 109.92 179.13 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -160.32 -178.26 6.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.42 179.152 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.566 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 18.0 m -62.02 -33.78 74.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.452 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -86.1 39.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 3.5 m-20 -135.3 4.94 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 16' ' ' CYS . 21.3 m -116.84 169.91 9.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.248 0.547 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.5 m -55.53 -140.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.342 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -92.2 -74.59 0.51 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.336 0.589 . . . . 0.0 112.244 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 42.6 m-70 -64.13 -10.39 22.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.018 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.898 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -95.57 137.87 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.585 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.61 136.11 9.85 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.848 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.1 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.984 0.421 . . . . 0.0 111.324 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.942 0.401 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 66.7 m -116.45 125.72 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -130.65 145.98 52.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m95 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 122.08 0.943 . . . . 0.0 111.221 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -81.41 102.75 10.7 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.301 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -59.66 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.135 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.968 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -58.3 126.44 27.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.329 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 69.51 29.09 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.195 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.455 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -94.76 135.35 12.4 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -60.41 117.16 10.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.128 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 12.7 p -128.58 138.24 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.84 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' OD2' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -84.94 -23.48 28.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.45 0.643 . . . . 0.0 109.877 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -152.38 -178.49 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.12 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.3 m -68.79 -32.35 72.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.76 8.69 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 10' ' ' LYS . 43.7 m-20 -100.46 8.73 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.05 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 22.5 m -122.39 174.49 6.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 111.715 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.655 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.8 m -62.1 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -70.45 0.69 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.357 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.3 -13.32 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.004 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.968 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -95.75 157.13 16.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.61 124.03 1.92 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.967 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.7 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 11.1 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.055 0.455 . . . . 0.0 111.656 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.5 m -114.28 134.46 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.971 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.65 144.46 50.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CZ2' ' HG ' ' A' ' 5' ' ' LEU . 33.4 m95 . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 121.187 0.518 . . . . 0.0 110.671 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 122.237 1.017 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.53 96.92 6.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.242 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.798 ' HA ' HD13 ' A' ' 19' ' ' LEU . 86.3 t80 -61.52 177.69 0.37 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.724 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -33.97 126.94 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CE2' HD13 ' A' ' 5' ' ' LEU . 46.4 m-85 71.55 21.5 4.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.842 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -90.34 126.86 8.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.4 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.31 114.21 5.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.949 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 p -125.93 136.7 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 111.612 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -85.41 -22.91 28.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.251 0.548 . . . . 0.0 109.953 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.59 -179.27 6.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 178.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.3 m -70.73 -28.69 64.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.509 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.5 m -84.28 15.15 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.99 4.32 23.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.218 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 29.7 m -119.54 166.2 13.43 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.921 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.5 m -54.54 -144.6 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.579 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.73 -71.62 0.63 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.018 -177.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 38.4 m170 -60.95 -10.91 6.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.883 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -100.77 142.47 32.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.479 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.91 131.42 6.29 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.866 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.1 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.975 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 72.0 m -109.8 119.92 40.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.758 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.42 140.7 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.484 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 18.9 m95 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 122.005 0.907 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.543 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -90.51 98.07 11.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.247 179.2 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.659 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.7 t80 -54.04 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.677 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.791 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -62.18 122.79 16.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.894 179.573 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 79.45 26.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -96.06 127.02 9.01 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.26 114.89 4.61 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 6.2 p -125.62 146.49 49.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.1 0.476 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -27.9 16.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 0.0 109.776 179.046 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -143.58 -178.95 6.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.209 179.019 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.527 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -70.73 -31.53 68.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.676 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 t -81.69 0.82 37.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.349 -179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.16 12.27 20.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.4 m -122.56 166.9 14.07 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.493 0.663 . . . . 0.0 112.094 -179.539 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.6 m -54.17 -144.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.322 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -72.38 0.59 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.355 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -63.31 -10.12 14.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.236 -177.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -96.94 160.67 14.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.417 0.627 . . . . 0.0 112.407 -179.42 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.6 126.89 2.03 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.24 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.1 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.223 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 24.9 p90 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.129 0.49 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 73.9 m -110.1 131.47 55.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.219 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -119.97 144.31 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.734 ' CE2' HD23 ' A' ' 5' ' ' LEU . 11.3 m95 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.774 0.321 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -54.07 97.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.284 1.04 . . . . 0.0 111.108 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.32 95.37 6.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.598 178.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.7 t80 -52.14 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.878 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.796 ' HA ' HD21 ' A' ' 19' ' ' LEU . 10.7 tp -59.26 115.97 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 28.7 t80 86.37 28.52 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -103.22 126.5 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.331 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 117.0 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.3 p -124.54 135.83 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 111.559 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -79.94 -19.67 47.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 109.995 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -160.08 -176.04 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.348 179.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -71.96 -29.06 63.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.281 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 p -84.06 13.56 4.96 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -110.7 5.56 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 34.6 m -115.87 167.48 10.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 111.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 45.6 m -54.37 -146.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.07 -71.41 0.64 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.263 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 62.1 m-70 -61.29 -11.62 10.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.073 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mt -95.11 156.53 16.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 112.863 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.12 129.83 3.77 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.014 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t -77.03 123.17 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.449 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' ARG . 11.8 mmtm -106.53 117.1 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.604 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -55.78 79.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.235 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -178.22 -69.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.832 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.64 ' CB ' ' CE1' ' A' ' 27' ' ' TYR . 93.5 m-20 -70.56 -30.85 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER 88.25 -19.28 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.491 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.64 ' CE1' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -90.86 -167.16 1.75 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 111.138 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 38.5 m -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.78 144.93 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.496 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.9 m95 -42.05 150.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER 173.63 91.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.579 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' O ' ' CB ' ' A' ' 33' ' ' THR . 22.0 t80 177.5 99.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER 87.71 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 -179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' H ' HG22 ' A' ' 33' ' ' THR . 0.2 OUTLIER -95.28 94.06 7.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.739 0.304 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.612 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 62.65 98.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.213 1.006 . . . . 0.0 110.547 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 1.1 mmt180 -72.99 98.19 2.46 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.795 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.647 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -65.96 176.83 1.51 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.813 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.845 ' HA ' HD21 ' A' ' 19' ' ' LEU . 1.1 mt -40.9 111.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 111.457 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 5' ' ' LEU . 4.1 m-85 86.86 38.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.516 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.18 130.78 9.65 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.535 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -54.91 113.59 3.74 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.55 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 29.3 p -131.89 141.79 49.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.031 0.443 . . . . 0.0 111.716 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 -18.39 18.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.161 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -144.48 162.84 35.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.067 -179.396 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.8 m -63.68 -31.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.704 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.64 2.85 24.04 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.007 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' THR . 9.0 m-20 -96.84 7.7 46.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.194 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.4 m -121.47 170.6 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 111.748 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.612 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.3 m -56.05 -146.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.65 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -71.78 0.63 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.492 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 4.8 m-70 -62.55 -10.06 10.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.2 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -91.9 166.5 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.17 124.21 1.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.547 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.6 t -69.71 139.29 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.46 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -121.25 115.14 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.21 71.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.185 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 168.77 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 1.4 m-20 -67.23 -34.04 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.722 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.5 tttp 87.23 -22.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 25' ' ' ASP . 2.1 p90 -113.83 -172.62 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.488 . . . . 0.0 111.064 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.674 ' HB2' HD22 ' A' ' 19' ' ' LEU . 25.8 m -106.9 129.16 54.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.697 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.46 144.38 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 5' ' ' LEU . 10.8 m95 -43.49 148.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 31.6 t70 176.56 72.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 33.6 t80 177.87 137.95 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.608 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 32' ' ' PHE . 70.5 p 54.71 -90.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' THR . 9.5 t80 -35.09 -35.26 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.144 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' THR . 48.5 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.727 0.298 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.616 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 49.69 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.117 0.96 . . . . 0.0 110.494 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.62 91.48 4.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.826 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.578 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 8.7 t80 -54.49 170.83 0.14 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.664 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.857 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -36.85 120.33 0.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 111.459 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 7.8 t80 82.81 24.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.836 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -101.84 119.78 6.6 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.531 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -45.21 130.4 8.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -141.69 139.36 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 111.7 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -87.6 -21.68 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -149.42 -178.3 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.028 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 11' ' ' THR . 3.8 m -72.27 -31.21 65.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.325 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.64 9.97 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 24.6 m -126.32 167.59 15.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.55 0.69 . . . . 0.0 112.06 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.7 m -55.5 -146.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.261 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -92.8 -72.02 0.62 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.635 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -60.96 -11.71 8.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.477 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 5' ' ' LEU . 2.0 mt -89.35 168.71 12.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.465 0.65 . . . . 0.0 112.495 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.49 121.36 1.09 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.261 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.7 t -68.38 102.93 1.5 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.5 mmmt -85.04 115.66 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -57.56 77.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 171.03 -53.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.784 0.325 . . . . 0.0 111.381 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 2.5 m-20 -69.32 -30.59 68.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER 87.92 -21.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -109.0 -168.19 1.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.1 m -107.99 131.46 54.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -127.55 145.0 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 35.1 m95 -39.22 149.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER 167.42 53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER 170.55 116.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' SER . 11.9 p -109.5 179.22 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 64.36 -70.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' THR . 52.4 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 175.74 105.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.976 0.893 . . . . 0.0 111.116 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.63 105.29 11.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.782 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -62.27 -159.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.713 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.923 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.1 tp -57.01 130.3 45.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.04 0.447 . . . . 0.0 112.074 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 68.88 23.68 6.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.895 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -100.66 108.51 3.49 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.42 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -34.54 139.97 0.14 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.574 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -150.51 139.3 20.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.811 0.338 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -83.12 -21.74 33.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -154.48 -176.22 5.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.399 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.526 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.2 m -73.04 -29.04 62.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.33 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.8 p -78.95 -3.85 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.88 8.75 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 17.8 m -123.1 179.17 4.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.544 0.688 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.9 m -70.36 -143.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.54 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -91.66 -70.62 0.68 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.3 m-70 -63.16 -8.56 8.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.239 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.923 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -98.53 146.96 25.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.98 123.56 3.15 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.46 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.7 t -75.59 123.9 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.63 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.22 134.52 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 111.054 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 8.6 p90 -55.56 136.86 49.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER 82.29 -8.75 1.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 24.2 t0 -81.26 -47.94 12.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 5.8 tmtm? 88.21 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.221 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 29.4 p90 -117.75 -171.64 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.693 ' HB2' HD22 ' A' ' 19' ' ' LEU . 37.4 m -104.45 131.15 52.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.513 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.76 141.79 50.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CE2' HD13 ' A' ' 5' ' ' LEU . 14.6 m95 -36.93 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -74.84 51.86 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 33' ' ' THR . 28.2 t80 -30.58 92.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER 170.96 142.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 55.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.866 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.78 0.324 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 176.63 96.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.248 1.023 . . . . 0.0 110.616 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -85.93 99.46 11.44 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.343 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.806 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -55.35 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.785 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.35 135.2 50.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.498 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 16.4 m-30 66.33 15.96 10.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.518 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -82.46 127.29 7.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.707 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 112.31 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.865 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 3.6 p -118.42 141.22 48.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.768 0.318 . . . . 0.0 111.419 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -21.18 36.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.362 0.601 . . . . 0.0 109.998 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -159.61 -178.0 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.05 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.572 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.1 m -65.45 -31.43 72.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.564 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.4 25.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.292 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -116.14 2.75 13.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.7 m -114.74 167.43 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.312 0.577 . . . . 0.0 111.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 49.6 m -55.12 -144.51 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.442 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -71.24 0.66 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.388 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 57.3 m170 -61.47 -9.82 6.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.105 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -100.11 163.51 12.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.387 0.613 . . . . 0.0 112.553 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.34 135.71 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.363 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.572 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.8 t -74.12 117.78 16.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 111.397 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' PHE . 2.6 mtpp -118.23 119.07 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.723 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 2.9 m-30 -43.54 173.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 10.1 ttm180 91.64 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.378 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.592 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -112.57 -32.09 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 111.089 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 23.3 ttmt 84.84 -13.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.347 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -82.4 -167.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.599 ' HB2' HD22 ' A' ' 19' ' ' LEU . 21.7 m -115.59 141.65 47.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.196 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB3' ' CD ' ' A' ' 22' ' ' LYS . . . -139.58 147.0 40.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 6.5 m95 -45.0 145.65 0.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 110.992 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 13.1 t0 175.34 73.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.955 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 80.1 t80 169.4 90.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.7 p -130.07 147.93 51.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 66.46 -160.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 172.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.406 1.098 . . . . 0.0 110.686 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.77 101.99 6.96 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.337 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.6 t80 -56.11 -156.19 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.9 tp -73.78 122.69 22.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.024 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 83.56 22.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.134 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -102.63 134.3 11.75 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -58.98 126.32 42.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.316 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.9 p -128.02 139.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -24.49 43.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.497 0.665 . . . . 0.0 109.656 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -160.21 -174.55 4.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.591 179.161 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.553 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.4 m -70.7 -27.29 63.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 0.0 110.093 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -84.9 20.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 10.63 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 13.4 m -118.33 166.15 12.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.568 0.699 . . . . 0.0 111.954 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 47.5 m -56.59 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.61 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -73.48 0.54 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.108 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -62.89 -9.49 9.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.184 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -97.97 162.57 13.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.454 0.645 . . . . 0.0 112.544 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.13 131.98 3.0 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.674 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.9 t -74.42 118.77 17.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.656 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 3.1 mtmt -94.16 154.86 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.061 0.458 . . . . 0.0 111.705 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -32.92 121.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.455 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mtt180 30.54 38.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.51 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 9.9 t70 -75.62 -27.77 58.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.2 ttmt 86.37 -39.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.226 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -121.44 -169.23 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.433 . . . . 0.0 111.195 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -112.52 130.77 55.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.58 144.04 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 55.1 m95 -39.54 152.48 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 7.9 t0 91.04 97.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -84.24 133.83 34.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.0 p -96.14 159.14 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 42.11 68.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.745 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 36.5 tp10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.837 0.351 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 170.58 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 122.086 0.946 . . . . 0.0 110.799 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -80.29 101.81 9.14 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.679 179.423 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.3 t80 -55.44 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.337 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.741 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.24 129.09 38.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.582 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 9.1 m-85 69.61 21.87 6.47 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.854 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -90.57 137.61 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.448 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.47 124.02 34.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.95 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 29.1 p -142.67 133.26 25.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 0.0 111.59 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -91.02 -15.46 29.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -147.65 163.74 35.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.346 -179.287 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 5.3 m -65.55 -32.26 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.678 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -82.05 8.45 10.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.973 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 11' ' ' THR . 38.2 m-20 -101.66 1.79 38.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.612 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 33.5 m -116.03 171.79 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.388 0.613 . . . . 0.0 111.396 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.634 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 58.7 m -55.51 -147.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.374 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -71.51 0.64 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.357 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 92.0 m-70 -60.81 -11.99 9.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.037 -178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.5 mt -94.86 158.4 15.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.346 0.593 . . . . 0.0 112.297 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 32' ' ' PHE . . . -146.03 124.91 2.15 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.697 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.2 t -68.28 96.33 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 111.254 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.7 mtpt -87.48 169.86 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 45.68 1.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.352 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -104.72 -92.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.775 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.577 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 67.2 m-20 -110.09 47.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.058 0.456 . . . . 0.0 110.46 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 3.1 pttt 37.84 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.672 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -113.27 -170.93 1.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.751 0.31 . . . . 0.0 110.946 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.598 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.8 m -115.59 126.24 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.7 144.59 50.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.723 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 8.5 m95 -42.87 146.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 3.1 t0 82.35 96.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 26.3 p90 -86.06 51.76 2.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -111.53 -22.5 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.772 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 33' ' ' THR . 13.3 p90 42.02 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.219 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.967 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.696 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -42.36 116.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.754 0.788 . . . . 0.0 111.328 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -81.33 106.9 13.66 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.66 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.595 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.75 -157.04 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.936 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.691 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.8 tp -69.21 126.91 31.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 81.33 18.53 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -99.24 126.3 8.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.772 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -49.02 130.59 23.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.673 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.6 p -145.06 132.69 20.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.433 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -21.93 41.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.196 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -151.43 -177.77 6.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.523 179.275 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.539 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.0 m -73.54 -28.45 61.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.367 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -81.75 5.16 19.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -101.59 12.72 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 29.3 m -127.54 -176.9 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.482 0.658 . . . . 0.0 111.515 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.696 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.2 m -72.32 -146.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.843 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -70.96 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.227 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 6.7 m-70 -59.73 -11.86 5.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.7 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.8 mt -96.17 148.3 22.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 120.77 2.12 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.941 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.6 t -73.28 133.87 44.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.688 0.28 . . . . 0.0 111.275 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 6.6 mttt -84.65 156.6 21.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -33.45 91.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 111.564 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 34.29 36.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -60.88 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.012 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 26.2 ttpt -176.63 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.681 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -119.75 -172.14 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.298 0.571 . . . . 0.0 111.649 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.643 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.7 m -105.34 133.81 49.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.23 50.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.626 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 8.4 m95 -43.39 151.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 9.5 t70 110.79 91.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.954 0.784 . . . . 0.0 110.687 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CD2' HG23 ' A' ' 33' ' ' THR . 24.6 t80 -56.89 138.12 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.492 HG23 ' CD2' ' A' ' 32' ' ' PHE . 3.2 p 70.67 -162.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.835 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' ' N ' ' A' ' 35' ' ' SER . 8.3 t80 -169.03 -69.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.609 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.443 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 1.1 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 79.98 138.32 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -124.39 104.96 9.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.592 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.635 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -56.34 -163.68 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.81 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.028 HD23 ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.66 129.35 41.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.572 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.475 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER 77.38 14.33 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.616 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.91 125.67 7.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.495 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -55.48 130.26 47.72 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.199 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 7.8 p -138.64 139.82 38.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -22.56 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.268 0.556 . . . . 0.0 110.073 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.845 HG23 ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -149.89 -177.67 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.1 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.7 m -74.17 -29.41 61.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.286 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 8.21 16.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.4 m-20 -100.36 0.1 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.236 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 30.0 m -111.59 176.83 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.611 . . . . 0.0 111.401 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.669 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 30.7 m -67.7 -146.05 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.97 -1.013 . . . . 0.0 112.55 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -91.59 -69.8 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.472 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -59.81 -10.83 4.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.986 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -100.01 168.11 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 112.886 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 128.91 2.17 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.0 t -79.74 139.9 37.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.43 165.03 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 25.7 p90 -36.01 92.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' LYS . 8.6 ptt85 36.32 39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.127 0.489 . . . . 0.0 110.728 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -86.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 1.9 ttpt 176.95 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 46.4 p90 -119.1 -170.4 1.91 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.25 0.548 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.79 ' HB2' HD22 ' A' ' 19' ' ' LEU . 34.1 m -112.67 135.48 53.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.721 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.84 148.36 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 1.028 ' CE2' HD23 ' A' ' 5' ' ' LEU . 21.6 m95 -48.59 151.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.015 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' O ' ' CB ' ' A' ' 32' ' ' PHE . 2.3 t70 158.05 105.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.048 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 5.1 t80 110.06 116.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.148 0.905 . . . . 0.0 110.16 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -121.91 -11.51 8.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.74 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' O ' ' CZ ' ' A' ' 32' ' ' PHE . 54.5 p90 -128.59 115.2 17.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.92 0.391 . . . . 0.0 111.212 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.3 mm-40 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.965 0.412 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 87.34 102.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.288 1.042 . . . . 0.0 111.396 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.75 106.18 8.27 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.329 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.582 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.13 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.11 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.899 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.83 123.88 19.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.227 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 48.3 m-85 72.68 31.21 1.7 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -102.56 121.2 7.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.195 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -42.27 126.57 4.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.222 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p -142.08 131.9 24.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 4.6 mmtm -80.03 -19.12 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.237 0.541 . . . . 0.0 109.958 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -154.76 -175.82 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 1.8 m -75.72 -28.59 58.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -77.85 -8.47 58.1 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -88.99 10.46 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.145 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 28.2 m -124.32 176.84 6.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.386 0.612 . . . . 0.0 111.659 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.5 m -67.03 -145.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -91.45 -70.46 0.68 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.459 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ASP . 34.8 m-70 -62.22 -8.39 5.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.269 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.2 mt -97.93 145.46 26.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.01 118.59 2.33 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.128 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.2 t -69.89 116.95 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.197 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -109.5 124.1 50.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -60.63 98.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 161.84 -56.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.546 ' CG ' ' CZ ' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -80.59 -16.77 53.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 -179.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER 72.35 -5.46 1.79 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.996 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CZ ' ' CG ' ' A' ' 25' ' ' ASP . 2.4 p90 -118.53 -171.43 2.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.817 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.748 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m -101.5 124.76 47.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.088 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -111.9 141.06 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.894 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 8.7 m95 -37.28 157.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 18' ' ' HIS . 1.5 p30 -72.71 52.3 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.242 0.544 . . . . 0.0 111.2 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -39.07 89.69 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.145 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.2 p -156.93 153.6 28.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.85 78.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.787 0.327 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -179.5 99.39 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 122.176 0.988 . . . . 0.0 110.784 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -82.53 98.11 8.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.682 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -53.01 -166.17 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.702 -179.523 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.714 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.1 tp -57.34 133.55 55.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m-85 72.49 14.92 5.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.23 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.81 129.82 9.83 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.46 127.21 44.38 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.638 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.6 p -137.97 136.94 37.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 111.266 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -22.53 38.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.248 0.547 . . . . 0.0 110.463 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -157.52 -177.86 6.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.531 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.561 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 12.2 m -65.36 -32.74 74.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.339 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -86.24 40.45 0.88 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.28 12.22 3.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 29.4 m -128.55 170.59 13.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.543 0.687 . . . . 0.0 111.922 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.622 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.2 m -57.43 -146.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.631 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -71.02 0.66 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.448 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 m80 -61.99 -10.01 8.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.16 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.9 mt -97.32 155.02 17.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.45 128.93 3.52 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.181 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.0 t -73.18 132.16 42.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.899 0.349 . . . . 0.0 111.145 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -85.42 172.28 11.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.31 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -50.21 85.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.181 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 47.71 24.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 30.9 t70 -47.89 -68.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.753 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 15.7 tttp 158.34 -45.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 16.0 p90 -120.46 -170.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 29.2 m -107.37 139.85 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -127.14 144.7 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.674 ' CE2' HD13 ' A' ' 5' ' ' LEU . 7.8 m95 -37.28 160.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' HIS . 2.1 t0 -73.45 49.27 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -43.93 121.08 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 ' O ' ' O ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -93.42 -45.89 7.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.107 0.48 . . . . 0.0 110.86 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 33' ' ' THR . 54.3 p90 38.8 -163.94 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.891 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.992 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.924 0.393 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 176.63 102.69 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 122.209 1.004 . . . . 0.0 110.584 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -75.35 99.95 4.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.682 -179.534 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.755 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.06 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.606 179.49 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 30' ' ' TRP . 6.8 tp -68.65 117.98 11.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.794 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 2.5 t80 85.06 30.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -105.13 130.53 10.26 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.474 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.27 115.96 8.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.402 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.0 p -125.06 141.63 52.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 0.0 111.4 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.22 -21.13 29.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.275 0.56 . . . . 0.0 110.054 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER -155.07 -175.16 5.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.273 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.547 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.6 m -73.1 -28.37 62.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.3 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.2 p -83.76 12.45 5.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.15 5.36 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.1 m -118.23 175.7 5.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.4 0.619 . . . . 0.0 111.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' A' ' 19' ' ' LEU . 56.3 m -62.65 -141.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.876 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -91.23 -75.17 0.48 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.321 0.581 . . . . 0.0 112.15 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.5 -9.18 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.785 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.1 mt -93.94 133.14 37.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.327 0.584 . . . . 0.0 112.389 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.1 128.52 6.87 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.554 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.0 t -77.49 154.43 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 111.258 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -137.46 116.41 12.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 2.4 m-85 -52.24 92.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 1.3 mtt180 160.48 -79.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.588 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 9.5 m-20 -55.08 -36.44 65.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.162 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 12.1 tttt 88.27 -22.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.812 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -91.55 -175.01 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 111.403 -179.721 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 20.1 m -111.97 130.47 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.998 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.22 144.85 50.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CE2' HD13 ' A' ' 5' ' ' LEU . 66.9 m95 -44.64 133.06 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' OD1' ' CE1' ' A' ' 32' ' ' PHE . 4.6 t70 16.5 51.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.195 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 31.5 p90 43.79 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 30' ' ' TRP . 68.5 p -141.72 162.73 34.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.07 112.36 8.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.049 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.792 0.33 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 166.41 95.33 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.185 0.993 . . . . 0.0 110.717 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.481 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.77 95.01 7.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.433 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.26 -162.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.942 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.07 127.79 30.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.029 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 64.2 m-85 69.47 26.78 5.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.176 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -98.19 102.36 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.424 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -32.78 120.85 0.21 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.1 p -128.67 145.36 51.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.947 0.403 . . . . 0.0 111.331 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -88.43 -23.36 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.357 0.598 . . . . 0.0 110.07 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -152.84 -176.42 5.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.106 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.9 m -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.49 7.7 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.27 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.0 OUTLIER -100.37 9.31 42.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.174 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 16.7 m -124.51 166.87 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.536 0.684 . . . . 0.0 111.701 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 48.8 m -54.34 -145.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.387 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 5.5 mmtt -92.04 -73.17 0.56 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.125 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 22.0 m170 -61.04 -11.75 9.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.035 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -94.73 152.4 18.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.326 0.584 . . . . 0.0 112.144 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.28 132.02 4.8 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.634 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.3 t -78.66 116.22 18.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.223 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -85.85 -177.4 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -91.64 122.1 33.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 83.5 -41.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.529 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 24.5 p-10 -35.37 -48.32 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 20.1 tttt 87.03 -24.96 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.69 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -113.61 -173.72 2.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.976 0.417 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 58.4 m -107.34 129.92 54.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' HD2' ' A' ' 22' ' ' LYS . . . -129.04 144.29 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 10.0 m95 -36.08 142.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 2.0 m-20 152.22 101.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.511 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 5.9 t80 -144.17 109.43 5.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.3 p -107.87 168.22 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.034 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.61 37.41 3.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.867 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.626 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 69.59 100.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.18 0.99 . . . . 0.0 110.946 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.509 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -86.3 99.87 11.88 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.671 178.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.19 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.373 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.778 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.25 121.68 14.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.308 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 77.54 26.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.356 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 140.91 15.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.29 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -59.65 120.21 21.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 10.5 p -134.97 133.02 39.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 111.569 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -18.18 38.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.206 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -154.44 -178.25 7.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.575 179.182 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.8 m -71.24 -32.36 68.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.346 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -81.7 5.67 17.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -99.25 13.41 33.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.5 m -124.91 167.77 14.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.505 0.669 . . . . 0.0 111.941 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.626 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.7 m -53.05 -145.73 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.633 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.77 -70.49 0.69 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 70.2 m80 -65.51 -9.55 27.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.53 -177.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -94.21 160.22 14.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.63 0.729 . . . . 0.0 112.547 -178.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.81 123.37 1.7 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.063 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 11' ' ' THR . 4.6 t -71.27 151.25 44.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 111.472 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 125.52 16.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.222 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -66.35 83.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.285 -179.739 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 175.78 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.634 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 6.4 m-20 -95.45 -31.26 13.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 12.7 tttt 88.82 -26.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.5 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 12.6 p90 -97.51 -171.22 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB2' HD22 ' A' ' 19' ' ' LEU . 33.6 m -105.24 139.93 39.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.131 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.27 142.92 39.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.652 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 8.6 m95 -38.51 148.16 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER 177.84 82.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 3.9 t80 174.91 95.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 34' ' ' PHE . 50.6 p -117.14 -104.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 33' ' ' THR . 24.2 m-85 66.33 115.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.751 0.31 . . . . 0.0 110.632 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.906 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 4.0 mm-40 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.906 0.384 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -35.25 96.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.366 1.079 . . . . 0.0 110.909 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.22 94.04 3.48 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.514 -1.221 . . . . 0.0 109.985 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.89 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.65 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.787 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.08 125.21 19.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.878 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 68.99 33.0 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.93 125.09 8.46 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -51.15 111.11 1.17 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.307 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.8 p -124.3 139.32 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.614 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -24.01 22.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.461 0.648 . . . . 0.0 109.848 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -148.77 179.76 7.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.23 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.6 m -68.84 -33.31 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.686 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -79.74 5.34 13.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.523 ' CG ' HG23 ' A' ' 11' ' ' THR . 77.2 m-20 -96.03 6.99 47.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 15.8 m -120.73 169.36 10.47 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.754 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 34.9 m -57.09 -146.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.388 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -91.68 -70.62 0.68 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -63.33 -9.37 11.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.226 -178.32 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.89 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -97.86 165.48 11.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.42 0.629 . . . . 0.0 112.456 -179.201 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.25 130.77 2.99 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.143 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.4 t -69.18 122.64 19.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.968 0.413 . . . . 0.0 111.256 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -92.14 -165.67 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.399 -179.584 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' LYS . 25.9 p90 -51.98 -161.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.554 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 25' ' ' ASP . 1.8 ttm180 -41.85 -23.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.056 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.567 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 1.2 p-10 -25.77 -44.24 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.201 0.313 . . . . 0.0 111.362 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 2.7 tptm 87.63 -16.81 0.34 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 13.5 p90 -106.43 -172.84 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.226 0.536 . . . . 0.0 111.959 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.0 m -117.74 150.35 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -143.08 146.26 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 7.7 m95 -37.72 153.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 25.0 t70 95.02 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.243 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CD1' HG23 ' A' ' 33' ' ' THR . 17.1 t80 -63.52 111.04 2.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.609 HG23 ' CD1' ' A' ' 32' ' ' PHE . 1.2 p 54.77 -157.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -108.38 -25.46 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.824 -179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 62.51 100.28 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.319 1.057 . . . . 0.0 110.458 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.78 98.09 3.41 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.392 -179.56 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.797 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.4 t80 -57.87 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -65.98 132.41 48.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 75.84 6.98 3.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.143 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -80.59 145.21 26.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.554 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -73.09 112.32 3.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.258 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -125.87 142.97 51.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.564 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -98.81 -22.22 15.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.496 0.665 . . . . 0.0 110.015 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -141.82 164.98 28.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.66 -179.317 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -65.6 -32.29 73.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.187 0.518 . . . . 0.0 109.941 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 8.6 9.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -99.62 -3.28 33.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.474 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 31.2 m -110.31 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.567 0.699 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.617 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.0 m -61.89 -146.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.615 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -91.3 -70.75 0.67 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.233 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' ASP . 89.4 m-70 -61.11 -10.44 6.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.848 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -99.33 163.82 12.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.506 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.31 131.15 3.0 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.676 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.6 t -73.74 121.45 20.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.69 161.59 14.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.61 145.81 50.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.52 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.38 14.96 5.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.137 0.494 . . . . 0.0 109.879 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -144.76 68.94 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.61 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 20.6 pttt -45.5 -19.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.576 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' GLY . 40.9 p90 -83.61 -172.51 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.917 0.389 . . . . 0.0 110.77 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.544 ' HB2' HD22 ' A' ' 19' ' ' LEU . 27.0 m -114.75 133.06 56.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.345 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.51 145.86 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.529 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 18.7 m95 -41.99 154.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.816 0.341 . . . . 0.0 111.052 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 7.6 m-20 89.07 92.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 33' ' ' THR . 2.9 t80 -62.58 116.85 5.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' PHE . 12.8 t 44.96 -154.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 75.6 -165.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.912 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.75 0.309 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 70.5 102.5 0.06 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 122.034 0.921 . . . . 0.0 110.606 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.8 102.24 9.86 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.671 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.3 t80 -66.66 174.45 2.86 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.754 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.828 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -32.35 122.79 0.33 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 5' ' ' LEU . 70.8 m-85 75.87 27.28 0.96 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.173 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.59 117.93 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.319 -0.944 . . . . 0.0 112.354 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.3 130.47 11.11 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.936 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 18.8 p -144.64 137.57 26.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.175 0.512 . . . . 0.0 111.937 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.51 -16.96 29.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.99 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -149.81 163.69 37.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.261 -179.284 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.52 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -64.34 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.606 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.11 20.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' THR . 64.9 m-20 -98.26 16.2 22.16 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.196 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.6 m -129.5 173.16 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.489 0.662 . . . . 0.0 111.569 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.8 m -60.08 -143.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.387 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.37 -73.13 0.56 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.346 -177.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' ASP . 78.9 m-70 -62.48 -9.88 9.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.087 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.99 143.12 26.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.48 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.4 126.01 4.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.439 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.5 t -69.11 129.46 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.679 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -121.81 142.21 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.133 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.67 59.99 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.458 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.05 -74.47 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.608 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 17.3 m-20 -74.09 -26.89 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.01 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 23.7 mtpp 89.66 -10.77 0.38 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.377 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -102.76 -171.58 1.98 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.783 179.316 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 56.1 m -98.36 120.74 39.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB3' ' HD2' ' A' ' 22' ' ' LYS . . . -117.06 140.68 49.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.557 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 29' ' ' ALA . 20.2 m95 -35.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.789 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 18' ' ' HIS . 75.9 m-20 -73.22 51.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.424 . . . . 0.0 110.788 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' ASP . 23.1 t80 -32.69 91.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.34 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -59.27 -179.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.645 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER 56.99 98.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.847 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.475 ' HG2' ' NH1' ' A' ' 3' ' ' ARG . 4.7 pt-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.652 0.263 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -43.9 95.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 122.468 1.127 . . . . 0.0 110.557 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -77.3 99.72 5.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.898 ' HA ' HD13 ' A' ' 19' ' ' LEU . 3.6 t80 -70.22 174.09 5.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.03 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.634 ' CA ' HD21 ' A' ' 19' ' ' LEU . 1.4 mt -29.58 125.44 0.14 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 50.5 m-85 70.04 32.01 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.664 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 3' ' ' ARG . . . -103.19 127.3 9.13 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.523 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -60.82 113.81 5.97 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.45 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 6.9 p -121.69 144.77 48.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.466 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -83.3 -24.26 32.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.246 0.546 . . . . 0.0 109.92 179.13 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -160.32 -178.26 6.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.42 179.152 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.566 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 18.0 m -62.02 -33.78 74.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.452 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -86.1 39.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 3.5 m-20 -135.3 4.94 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 16' ' ' CYS . 21.3 m -116.84 169.91 9.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.248 0.547 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.5 m -55.53 -140.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.342 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -92.2 -74.59 0.51 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.336 0.589 . . . . 0.0 112.244 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 42.6 m-70 -64.13 -10.39 22.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.018 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.898 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -95.57 137.87 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.585 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.61 136.11 9.85 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.848 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.1 t -67.03 131.69 46.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.984 0.421 . . . . 0.0 111.324 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 149.16 38.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.787 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.83 51.67 1.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -120.17 -63.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 15.7 t70 -114.51 0.47 14.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 25' ' ' ASP . 19.1 mmtp 77.06 14.34 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -169.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 66.7 m -116.45 125.72 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -130.65 145.98 52.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m95 -37.16 149.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.437 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -168.05 90.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 111.125 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' C ' HG23 ' A' ' 33' ' ' THR . 71.9 t80 178.09 74.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.966 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 32' ' ' PHE . 1.5 p 69.26 160.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.046 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 179.5 46.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.913 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' CYS . 8.5 pt-20 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -35.07 105.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.08 0.943 . . . . 0.0 111.221 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -81.41 102.75 10.7 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.301 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -59.66 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.135 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.968 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -58.3 126.44 27.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.329 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 69.51 29.09 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.195 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -94.76 135.35 12.4 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -60.41 117.16 10.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.128 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 12.7 p -128.58 138.24 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.84 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -84.94 -23.48 28.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.45 0.643 . . . . 0.0 109.877 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -152.38 -178.49 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.12 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.3 m -68.79 -32.35 72.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.76 8.69 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 10' ' ' LYS . 43.7 m-20 -100.46 8.73 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.05 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 22.5 m -122.39 174.49 6.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 111.715 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.655 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.8 m -62.1 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -70.45 0.69 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.357 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.3 -13.32 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.004 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.968 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -95.75 157.13 16.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.61 124.03 1.92 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.967 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.7 t -65.32 124.75 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -80.63 95.24 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 42.2 54.22 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 7.9 mtm180 42.07 30.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.59 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -168.09 -52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.283 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 11.1 p90 -112.81 -171.85 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 0.0 111.656 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.5 m -114.28 134.46 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.971 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.65 144.46 50.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CZ2' ' HG ' ' A' ' 5' ' ' LEU . 33.4 m95 -44.88 118.54 1.66 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.187 0.518 . . . . 0.0 110.671 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 17.62 50.05 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -115.93 129.19 56.29 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.333 -179.629 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.2 p -148.15 126.79 12.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.749 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 60.89 -71.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.908 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.863 0.364 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 172.9 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.237 1.017 . . . . 0.0 110.55 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.53 96.92 6.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.242 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.798 ' HA ' HD13 ' A' ' 19' ' ' LEU . 86.3 t80 -61.52 177.69 0.37 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.724 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -33.97 126.94 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CE2' HD13 ' A' ' 5' ' ' LEU . 46.4 m-85 71.55 21.5 4.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.842 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -90.34 126.86 8.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.4 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.31 114.21 5.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.949 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 p -125.93 136.7 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 111.612 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -85.41 -22.91 28.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.251 0.548 . . . . 0.0 109.953 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.59 -179.27 6.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 178.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.3 m -70.73 -28.69 64.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.509 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.5 m -84.28 15.15 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.99 4.32 23.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.218 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 29.7 m -119.54 166.2 13.43 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.921 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.5 m -54.54 -144.6 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.579 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.73 -71.62 0.63 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.018 -177.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 38.4 m170 -60.95 -10.91 6.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.883 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -100.77 142.47 32.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.479 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.91 131.42 6.29 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.866 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.1 t -71.03 123.93 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.975 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 1.3 mptm? -110.05 166.82 10.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.311 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -86.98 159.28 19.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.78 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.94 58.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.55 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 176.54 -59.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.502 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.6 mttp 88.78 3.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.676 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' ' CB ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -102.17 -175.71 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.843 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 72.0 m -109.8 119.92 40.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.758 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.42 140.7 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.484 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 18.9 m95 -35.32 155.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.668 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' PHE . 51.9 m-20 -74.91 50.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ASP . 5.9 t80 -36.33 126.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.257 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.7 p -47.4 148.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -132.47 25.77 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.008 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 3.0 mt-10 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 166.47 105.04 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.005 0.907 . . . . 0.0 111.335 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -90.51 98.07 11.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.247 179.2 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.659 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.7 t80 -54.04 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.677 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.791 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -62.18 122.79 16.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.894 179.573 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 79.45 26.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -96.06 127.02 9.01 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -54.26 114.89 4.61 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 6.2 p -125.62 146.49 49.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.1 0.476 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.69 -27.9 16.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 0.0 109.776 179.046 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -143.58 -178.95 6.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.209 179.019 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.527 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -70.73 -31.53 68.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.676 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 t -81.69 0.82 37.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.349 -179.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.16 12.27 20.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.4 m -122.56 166.9 14.07 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.493 0.663 . . . . 0.0 112.094 -179.539 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.6 m -54.17 -144.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.322 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -72.38 0.59 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.355 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 31' ' ' ASP . 50.1 m170 -63.31 -10.12 14.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.236 -177.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -96.94 160.67 14.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.417 0.627 . . . . 0.0 112.407 -179.42 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.6 126.89 2.03 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.24 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.1 t -71.37 131.66 43.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.223 -179.271 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.506 ' HD3' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -96.15 108.14 20.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' ARG . 21.8 m-85 33.52 62.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.452 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 19.4 ttm180 35.05 38.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.506 ' HB3' ' HD3' ' A' ' 22' ' ' LYS . 18.5 p-10 -55.78 -52.03 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.2 OUTLIER 164.66 -45.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.46 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 24.9 p90 -120.12 -174.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 111.718 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 73.9 m -110.1 131.47 55.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.219 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -119.97 144.31 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.734 ' CE2' HD23 ' A' ' 5' ' ' LEU . 11.3 m95 -34.87 157.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' HIS . 10.8 t0 -67.62 55.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' ASP . 41.2 t80 -25.76 99.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.68 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.7 p -82.03 -174.69 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.528 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -153.79 -55.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 -179.893 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.322 0 CA-C-O 122.284 1.04 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.32 95.37 6.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.598 178.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.7 t80 -52.14 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.878 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.796 ' HA ' HD21 ' A' ' 19' ' ' LEU . 10.7 tp -59.26 115.97 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 28.7 t80 86.37 28.52 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -103.22 126.5 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.331 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 117.0 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.3 p -124.54 135.83 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 111.559 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -79.94 -19.67 47.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 109.995 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -160.08 -176.04 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.348 179.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -71.96 -29.06 63.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.281 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 p -84.06 13.56 4.96 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -110.7 5.56 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 34.6 m -115.87 167.48 10.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 111.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 45.6 m -54.37 -146.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.07 -71.41 0.64 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.263 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 62.1 m-70 -61.29 -11.62 10.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.073 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mt -95.11 156.53 16.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 112.863 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.12 129.83 3.77 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.014 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.449 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 38.5 m -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.78 144.93 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.496 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.9 m95 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.612 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 122.213 1.006 . . . . 0.0 110.547 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 1.1 mmt180 -72.99 98.19 2.46 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.795 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.647 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -65.96 176.83 1.51 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.813 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.845 ' HA ' HD21 ' A' ' 19' ' ' LEU . 1.1 mt -40.9 111.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 111.457 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 5' ' ' LEU . 4.1 m-85 86.86 38.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.516 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.18 130.78 9.65 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.535 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -54.91 113.59 3.74 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.55 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 29.3 p -131.89 141.79 49.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.031 0.443 . . . . 0.0 111.716 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 -18.39 18.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.161 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -144.48 162.84 35.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.067 -179.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.8 m -63.68 -31.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.704 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.64 2.85 24.04 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.007 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' THR . 9.0 m-20 -96.84 7.7 46.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.194 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.4 m -121.47 170.6 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 111.748 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.612 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.3 m -56.05 -146.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.65 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -71.78 0.63 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.492 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 4.8 m-70 -62.55 -10.06 10.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.2 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -91.9 166.5 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.17 124.21 1.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.547 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.46 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.1 p90 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.126 0.488 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.674 ' HB2' HD22 ' A' ' 19' ' ' LEU . 25.8 m -106.9 129.16 54.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.697 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.46 144.38 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 5' ' ' LEU . 10.8 m95 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.616 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 122.117 0.96 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.62 91.48 4.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.826 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.578 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 8.7 t80 -54.49 170.83 0.14 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.664 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.857 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -36.85 120.33 0.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 111.459 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 7.8 t80 82.81 24.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.836 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -101.84 119.78 6.6 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.531 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -45.21 130.4 8.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -141.69 139.36 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 111.7 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -87.6 -21.68 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -149.42 -178.3 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.028 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 11' ' ' THR . 3.8 m -72.27 -31.21 65.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.325 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.64 9.97 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 24.6 m -126.32 167.59 15.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.55 0.69 . . . . 0.0 112.06 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.7 m -55.5 -146.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.261 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -92.8 -72.02 0.62 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.635 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -60.96 -11.71 8.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.477 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 5' ' ' LEU . 2.0 mt -89.35 168.71 12.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.465 0.65 . . . . 0.0 112.495 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.49 121.36 1.09 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.261 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.399 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.1 m -107.99 131.46 54.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -127.55 145.0 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 35.1 m95 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.976 0.893 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.63 105.29 11.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.782 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -62.27 -159.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.713 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.923 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.1 tp -57.01 130.3 45.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.04 0.447 . . . . 0.0 112.074 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 68.88 23.68 6.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.895 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -100.66 108.51 3.49 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.42 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -34.54 139.97 0.14 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.574 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -150.51 139.3 20.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.811 0.338 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -83.12 -21.74 33.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -154.48 -176.22 5.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.399 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.2 m -73.04 -29.04 62.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.33 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.8 p -78.95 -3.85 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.88 8.75 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 17.8 m -123.1 179.17 4.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.544 0.688 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.9 m -70.36 -143.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.54 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -91.66 -70.62 0.68 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 3.3 m-70 -63.16 -8.56 8.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.239 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.923 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -98.53 146.96 25.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.98 123.56 3.15 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.46 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.7 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.63 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.693 ' HB2' HD22 ' A' ' 19' ' ' LEU . 37.4 m -104.45 131.15 52.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.513 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.76 141.79 50.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CE2' HD13 ' A' ' 5' ' ' LEU . 14.6 m95 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 CA-C-O 122.248 1.023 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -85.93 99.46 11.44 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.343 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.806 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -55.35 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.785 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.35 135.2 50.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.498 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 16.4 m-30 66.33 15.96 10.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.518 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -82.46 127.29 7.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.707 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 112.31 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.865 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 3.6 p -118.42 141.22 48.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.768 0.318 . . . . 0.0 111.419 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -21.18 36.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.362 0.601 . . . . 0.0 109.998 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -159.61 -178.0 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.05 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.572 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.1 m -65.45 -31.43 72.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.564 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.4 25.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.292 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -116.14 2.75 13.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.7 m -114.74 167.43 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.312 0.577 . . . . 0.0 111.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 49.6 m -55.12 -144.51 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.442 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -71.24 0.66 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.388 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 57.3 m170 -61.47 -9.82 6.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.105 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -100.11 163.51 12.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.387 0.613 . . . . 0.0 112.553 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.34 135.71 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.363 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.572 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.8 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 111.397 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 121.118 0.485 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.599 ' HB2' HD22 ' A' ' 19' ' ' LEU . 21.7 m -115.59 141.65 47.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.196 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -139.58 147.0 40.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 6.5 m95 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 110.992 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 122.406 1.098 . . . . 0.0 110.686 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.77 101.99 6.96 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.337 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.6 t80 -56.11 -156.19 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.9 tp -73.78 122.69 22.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.024 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 83.56 22.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.134 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -102.63 134.3 11.75 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 3' ' ' ARG . . . -58.98 126.32 42.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.316 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.9 p -128.02 139.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -24.49 43.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.497 0.665 . . . . 0.0 109.656 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -160.21 -174.55 4.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.591 179.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.553 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.4 m -70.7 -27.29 63.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 0.0 110.093 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -84.9 20.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 10.63 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 13.4 m -118.33 166.15 12.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.568 0.699 . . . . 0.0 111.954 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 47.5 m -56.59 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.61 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -73.48 0.54 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.108 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -62.89 -9.49 9.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.184 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -97.97 162.57 13.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.454 0.645 . . . . 0.0 112.544 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.13 131.98 3.0 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.674 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.9 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.656 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 121.008 0.433 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -112.52 130.77 55.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.58 144.04 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 5' ' ' LEU . 55.1 m95 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 122.086 0.946 . . . . 0.0 110.799 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -80.29 101.81 9.14 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.679 179.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.3 t80 -55.44 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.337 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.741 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.24 129.09 38.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.582 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 9.1 m-85 69.61 21.87 6.47 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.854 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -90.57 137.61 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.448 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.47 124.02 34.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.95 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 29.1 p -142.67 133.26 25.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 0.0 111.59 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -91.02 -15.46 29.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -147.65 163.74 35.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.346 -179.287 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 5.3 m -65.55 -32.26 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.678 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -82.05 8.45 10.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.973 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 11' ' ' THR . 38.2 m-20 -101.66 1.79 38.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.612 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 33.5 m -116.03 171.79 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.388 0.613 . . . . 0.0 111.396 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.634 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 58.7 m -55.51 -147.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.374 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -71.51 0.64 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.357 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 92.0 m-70 -60.81 -11.99 9.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.037 -178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.5 mt -94.86 158.4 15.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.346 0.593 . . . . 0.0 112.297 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.03 124.91 2.15 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.697 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.2 t . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 111.254 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.751 0.31 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.598 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.8 m -115.59 126.24 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.7 144.59 50.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.723 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 8.5 m95 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.696 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.754 0.788 . . . . 0.0 111.328 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.491 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -81.33 106.9 13.66 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.66 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.595 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.75 -157.04 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.936 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.691 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.8 tp -69.21 126.91 31.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 81.33 18.53 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -99.24 126.3 8.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.772 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -49.02 130.59 23.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.673 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.6 p -145.06 132.69 20.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.433 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -21.93 41.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.196 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -151.43 -177.77 6.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.523 179.275 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.539 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.0 m -73.54 -28.45 61.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.367 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -81.75 5.16 19.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -101.59 12.72 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 29.3 m -127.54 -176.9 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.482 0.658 . . . . 0.0 111.515 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.696 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.2 m -72.32 -146.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.843 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -70.96 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.227 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 6.7 m-70 -59.73 -11.86 5.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.7 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.8 mt -96.17 148.3 22.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 120.77 2.12 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.941 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.6 t . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.688 0.28 . . . . 0.0 111.275 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.298 0.571 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.643 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.7 m -105.34 133.81 49.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.23 50.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.4 m95 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -124.39 104.96 9.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.592 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.635 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -56.34 -163.68 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.81 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.028 HD23 ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.66 129.35 41.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.572 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.475 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER 77.38 14.33 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.616 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.91 125.67 7.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.495 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.48 130.26 47.72 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.199 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 7.8 p -138.64 139.82 38.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -22.56 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.268 0.556 . . . . 0.0 110.073 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.845 HG23 ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -149.89 -177.67 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.1 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.7 m -74.17 -29.41 61.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.286 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 8.21 16.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.4 m-20 -100.36 0.1 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.236 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 30.0 m -111.59 176.83 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.611 . . . . 0.0 111.401 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.669 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 30.7 m -67.7 -146.05 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.97 -1.013 . . . . 0.0 112.55 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -91.59 -69.8 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.472 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -59.81 -10.83 4.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.986 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -100.01 168.11 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 112.886 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 128.91 2.17 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 46.4 p90 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 121.25 0.548 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.79 ' HB2' HD22 ' A' ' 19' ' ' LEU . 34.1 m -112.67 135.48 53.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.721 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.84 148.36 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 1.028 ' CE2' HD23 ' A' ' 5' ' ' LEU . 21.6 m95 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 122.288 1.042 . . . . 0.0 111.396 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.75 106.18 8.27 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.329 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.582 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.13 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.11 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.899 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.83 123.88 19.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.227 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 48.3 m-85 72.68 31.21 1.7 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -102.56 121.2 7.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.195 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -42.27 126.57 4.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.222 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p -142.08 131.9 24.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 4.6 mmtm -80.03 -19.12 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.237 0.541 . . . . 0.0 109.958 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -154.76 -175.82 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 1.8 m -75.72 -28.59 58.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -77.85 -8.47 58.1 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -88.99 10.46 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.145 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 28.2 m -124.32 176.84 6.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.386 0.612 . . . . 0.0 111.659 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.5 m -67.03 -145.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -91.45 -70.46 0.68 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.459 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -62.22 -8.39 5.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.269 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.2 mt -97.93 145.46 26.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.01 118.59 2.33 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.128 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.197 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.748 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m -101.5 124.76 47.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.088 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -111.9 141.06 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.894 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 8.7 m95 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.324 0 CA-C-O 122.176 0.988 . . . . 0.0 110.784 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -82.53 98.11 8.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.682 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -53.01 -166.17 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.702 -179.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.714 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.1 tp -57.34 133.55 55.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m-85 72.49 14.92 5.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.23 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.81 129.82 9.83 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.46 127.21 44.38 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.638 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.6 p -137.97 136.94 37.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 111.266 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -22.53 38.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.248 0.547 . . . . 0.0 110.463 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -157.52 -177.86 6.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.531 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.561 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 12.2 m -65.36 -32.74 74.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.339 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -86.24 40.45 0.88 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.28 12.22 3.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 29.4 m -128.55 170.59 13.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.543 0.687 . . . . 0.0 111.922 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.622 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.2 m -57.43 -146.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.631 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -71.02 0.66 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.448 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -61.99 -10.01 8.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.16 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.9 mt -97.32 155.02 17.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.45 128.93 3.52 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.181 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.0 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.899 0.349 . . . . 0.0 111.145 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.0 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.995 0.426 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 29.2 m -107.37 139.85 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -127.14 144.7 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.674 ' CE2' HD13 ' A' ' 5' ' ' LEU . 7.8 m95 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 110.71 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.516 -0.338 0 CA-C-O 122.209 1.004 . . . . 0.0 110.584 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -75.35 99.95 4.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.682 -179.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.755 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.06 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.606 179.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 30' ' ' TRP . 6.8 tp -68.65 117.98 11.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.794 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 2.5 t80 85.06 30.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -105.13 130.53 10.26 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.474 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.27 115.96 8.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.402 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.0 p -125.06 141.63 52.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 0.0 111.4 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.22 -21.13 29.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.275 0.56 . . . . 0.0 110.054 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER -155.07 -175.16 5.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.273 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.547 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.6 m -73.1 -28.37 62.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.3 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.2 p -83.76 12.45 5.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.15 5.36 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.1 m -118.23 175.7 5.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.4 0.619 . . . . 0.0 111.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' A' ' 19' ' ' LEU . 56.3 m -62.65 -141.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.876 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -91.23 -75.17 0.48 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.321 0.581 . . . . 0.0 112.15 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.5 -9.18 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.785 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.1 mt -93.94 133.14 37.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.327 0.584 . . . . 0.0 112.389 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.1 128.52 6.87 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.554 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 111.258 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.135 0.493 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 20.1 m -111.97 130.47 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.998 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.22 144.85 50.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CE2' HD13 ' A' ' 5' ' ' LEU . 66.9 m95 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.339 0 CA-C-O 122.185 0.993 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.481 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.77 95.01 7.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.433 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.26 -162.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.942 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.07 127.79 30.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.029 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 64.2 m-85 69.47 26.78 5.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.176 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -98.19 102.36 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.424 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -32.78 120.85 0.21 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.1 p -128.67 145.36 51.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.947 0.403 . . . . 0.0 111.331 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -88.43 -23.36 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.357 0.598 . . . . 0.0 110.07 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -152.84 -176.42 5.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.106 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.9 m -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.49 7.7 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.27 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.0 OUTLIER -100.37 9.31 42.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.174 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 16.7 m -124.51 166.87 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.536 0.684 . . . . 0.0 111.701 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 48.8 m -54.34 -145.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.387 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -92.04 -73.17 0.56 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.125 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 22.0 m170 -61.04 -11.75 9.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.035 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -94.73 152.4 18.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.326 0.584 . . . . 0.0 112.144 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.28 132.02 4.8 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.634 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.223 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 p90 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.976 0.417 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 58.4 m -107.34 129.92 54.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -129.04 144.29 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 10.0 m95 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.626 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 122.18 0.99 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.509 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -86.3 99.87 11.88 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.671 178.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.19 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.373 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.778 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.25 121.68 14.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.308 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 77.54 26.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.356 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 140.91 15.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.29 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -59.65 120.21 21.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 10.5 p -134.97 133.02 39.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 111.569 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -18.18 38.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.206 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -154.44 -178.25 7.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.575 179.182 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.8 m -71.24 -32.36 68.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.346 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -81.7 5.67 17.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -99.25 13.41 33.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.5 m -124.91 167.77 14.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.505 0.669 . . . . 0.0 111.941 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.626 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.7 m -53.05 -145.73 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.633 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.77 -70.49 0.69 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 70.2 m80 -65.51 -9.55 27.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.53 -177.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -94.21 160.22 14.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.63 0.729 . . . . 0.0 112.547 -178.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.81 123.37 1.7 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.063 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 11' ' ' THR . 4.6 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 111.472 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 12.6 p90 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.1 0.476 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB2' HD22 ' A' ' 19' ' ' LEU . 33.6 m -105.24 139.93 39.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.131 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.27 142.92 39.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.652 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 8.6 m95 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 122.366 1.079 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.22 94.04 3.48 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.514 -1.221 . . . . 0.0 109.985 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.89 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.65 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.787 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.08 125.21 19.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.878 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 68.99 33.0 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.93 125.09 8.46 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -51.15 111.11 1.17 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.307 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.8 p -124.3 139.32 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.614 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -24.01 22.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.461 0.648 . . . . 0.0 109.848 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -148.77 179.76 7.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.23 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.6 m -68.84 -33.31 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.686 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -79.74 5.34 13.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.523 ' CG ' HG23 ' A' ' 11' ' ' THR . 77.2 m-20 -96.03 6.99 47.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 15.8 m -120.73 169.36 10.47 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.754 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 34.9 m -57.09 -146.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.388 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -91.68 -70.62 0.68 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.447 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 0.3 OUTLIER -63.33 -9.37 11.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.226 -178.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.89 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -97.86 165.48 11.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.42 0.629 . . . . 0.0 112.456 -179.201 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.25 130.77 2.99 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.143 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.968 0.413 . . . . 0.0 111.256 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 13.5 p90 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.226 0.536 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.0 m -117.74 150.35 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -143.08 146.26 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 7.7 m95 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 122.319 1.057 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.78 98.09 3.41 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.392 -179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.797 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.4 t80 -57.87 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -65.98 132.41 48.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 75.84 6.98 3.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.143 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -80.59 145.21 26.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.554 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -73.09 112.32 3.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.258 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -125.87 142.97 51.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.564 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -98.81 -22.22 15.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.496 0.665 . . . . 0.0 110.015 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -141.82 164.98 28.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.66 -179.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -65.6 -32.29 73.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.187 0.518 . . . . 0.0 109.941 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 8.6 9.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -99.62 -3.28 33.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.474 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 31.2 m -110.31 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.567 0.699 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.617 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.0 m -61.89 -146.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.615 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -91.3 -70.75 0.67 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.233 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 89.4 m-70 -61.11 -10.44 6.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.848 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -99.33 163.82 12.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.31 131.15 3.0 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.676 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.6 t . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' GLY . 40.9 p90 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.917 0.389 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.544 ' HB2' HD22 ' A' ' 19' ' ' LEU . 27.0 m -114.75 133.06 56.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.345 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.51 145.86 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.529 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 18.7 m95 . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.816 0.341 . . . . 0.0 111.052 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.31 0 CA-C-O 122.034 0.921 . . . . 0.0 110.606 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.8 102.24 9.86 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.671 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.3 t80 -66.66 174.45 2.86 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.754 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.828 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -32.35 122.79 0.33 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 5' ' ' LEU . 70.8 m-85 75.87 27.28 0.96 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.173 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.537 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.59 117.93 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.319 -0.944 . . . . 0.0 112.354 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.3 130.47 11.11 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.936 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 18.8 p -144.64 137.57 26.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.175 0.512 . . . . 0.0 111.937 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.51 -16.96 29.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.99 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -149.81 163.69 37.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.261 -179.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.52 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -64.34 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.606 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.11 20.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' THR . 64.9 m-20 -98.26 16.2 22.16 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.196 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.6 m -129.5 173.16 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.489 0.662 . . . . 0.0 111.569 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.8 m -60.08 -143.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.387 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.37 -73.13 0.56 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.346 -177.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -62.48 -9.88 9.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.087 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.99 143.12 26.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.4 126.01 4.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.439 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.5 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 56.1 m -98.36 120.74 39.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -117.06 140.68 49.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.557 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 29' ' ' ALA . 20.2 m95 . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.789 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 122.468 1.127 . . . . 0.0 110.557 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -77.3 99.72 5.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.898 ' HA ' HD13 ' A' ' 19' ' ' LEU . 3.6 t80 -70.22 174.09 5.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.03 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.634 ' CA ' HD21 ' A' ' 19' ' ' LEU . 1.4 mt -29.58 125.44 0.14 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 50.5 m-85 70.04 32.01 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.664 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 3' ' ' ARG . . . -103.19 127.3 9.13 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.523 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -60.82 113.81 5.97 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.45 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 6.9 p -121.69 144.77 48.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.466 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -83.3 -24.26 32.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.246 0.546 . . . . 0.0 109.92 179.13 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -160.32 -178.26 6.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.42 179.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.566 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 18.0 m -62.02 -33.78 74.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.452 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -86.1 39.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 3.5 m-20 -135.3 4.94 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 16' ' ' CYS . 21.3 m -116.84 169.91 9.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.248 0.547 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.5 m -55.53 -140.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.342 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -92.2 -74.59 0.51 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.336 0.589 . . . . 0.0 112.244 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 42.6 m-70 -64.13 -10.39 22.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.018 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.898 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -95.57 137.87 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.61 136.11 9.85 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.848 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.1 t . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.984 0.421 . . . . 0.0 111.324 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.942 0.401 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 66.7 m -116.45 125.72 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -130.65 145.98 52.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m95 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 122.08 0.943 . . . . 0.0 111.221 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -81.41 102.75 10.7 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.301 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -59.66 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.135 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.968 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -58.3 126.44 27.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.329 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 69.51 29.09 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.195 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.455 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -94.76 135.35 12.4 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -60.41 117.16 10.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.128 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 12.7 p -128.58 138.24 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.84 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' OD2' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -84.94 -23.48 28.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.45 0.643 . . . . 0.0 109.877 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -152.38 -178.49 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.12 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.3 m -68.79 -32.35 72.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.76 8.69 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 10' ' ' LYS . 43.7 m-20 -100.46 8.73 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.05 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 22.5 m -122.39 174.49 6.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 111.715 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.655 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.8 m -62.1 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -70.45 0.69 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.357 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.3 -13.32 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.004 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.968 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -95.75 157.13 16.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.61 124.03 1.92 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.967 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.7 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 11.1 p90 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.055 0.455 . . . . 0.0 111.656 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.5 m -114.28 134.46 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.971 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.65 144.46 50.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CZ2' ' HG ' ' A' ' 5' ' ' LEU . 33.4 m95 . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 121.187 0.518 . . . . 0.0 110.671 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.261 0 CA-C-O 122.237 1.017 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.53 96.92 6.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.242 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.798 ' HA ' HD13 ' A' ' 19' ' ' LEU . 86.3 t80 -61.52 177.69 0.37 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.724 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -33.97 126.94 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CE2' HD13 ' A' ' 5' ' ' LEU . 46.4 m-85 71.55 21.5 4.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.842 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -90.34 126.86 8.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.4 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.31 114.21 5.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.949 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 p -125.93 136.7 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 111.612 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -85.41 -22.91 28.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.251 0.548 . . . . 0.0 109.953 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.59 -179.27 6.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 178.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.3 m -70.73 -28.69 64.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.509 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.5 m -84.28 15.15 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.99 4.32 23.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.218 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 29.7 m -119.54 166.2 13.43 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.921 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.5 m -54.54 -144.6 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.579 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.73 -71.62 0.63 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.018 -177.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 38.4 m170 -60.95 -10.91 6.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.883 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -100.77 142.47 32.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.91 131.42 6.29 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.866 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.1 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.975 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.945 0.402 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 72.0 m -109.8 119.92 40.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.758 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.42 140.7 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.484 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 18.9 m95 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 122.005 0.907 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.543 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -90.51 98.07 11.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.247 179.2 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.659 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.7 t80 -54.04 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.677 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.791 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -62.18 122.79 16.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.894 179.573 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 79.45 26.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -96.06 127.02 9.01 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.26 114.89 4.61 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 6.2 p -125.62 146.49 49.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.1 0.476 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -27.9 16.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 0.0 109.776 179.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -143.58 -178.95 6.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.209 179.019 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.527 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -70.73 -31.53 68.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.676 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 t -81.69 0.82 37.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.349 -179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.16 12.27 20.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.4 m -122.56 166.9 14.07 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.493 0.663 . . . . 0.0 112.094 -179.539 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.6 m -54.17 -144.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.322 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -72.38 0.59 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.355 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -63.31 -10.12 14.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.236 -177.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -96.94 160.67 14.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.417 0.627 . . . . 0.0 112.407 -179.42 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.6 126.89 2.03 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.24 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.1 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.223 -179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 24.9 p90 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.129 0.49 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 73.9 m -110.1 131.47 55.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.219 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -119.97 144.31 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.734 ' CE2' HD23 ' A' ' 5' ' ' LEU . 11.3 m95 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.774 0.321 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -54.07 97.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.284 1.04 . . . . 0.0 111.108 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -81.32 95.37 6.97 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.598 178.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 2.7 t80 -52.14 -168.46 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.878 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.796 ' HA ' HD21 ' A' ' 19' ' ' LEU . 10.7 tp -59.26 115.97 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 28.7 t80 86.37 28.52 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -103.22 126.5 8.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.331 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.83 117.0 6.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.3 p -124.54 135.83 53.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 111.559 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -79.94 -19.67 47.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.256 0.55 . . . . 0.0 109.995 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -160.08 -176.04 5.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.348 179.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -71.96 -29.06 63.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.281 179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 p -84.06 13.56 4.96 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -110.7 5.56 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.338 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 34.6 m -115.87 167.48 10.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.391 0.615 . . . . 0.0 111.752 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 45.6 m -54.37 -146.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.242 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -92.07 -71.41 0.64 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.263 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 62.1 m-70 -61.29 -11.62 10.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.073 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mt -95.11 156.53 16.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.554 0.692 . . . . 0.0 112.863 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.12 129.83 3.77 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.014 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t -77.03 123.17 25.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 111.449 -179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' ARG . 11.8 mmtm -106.53 117.1 33.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.604 ' CG ' ' O ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -55.78 79.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.235 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -178.22 -69.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.832 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.64 ' CB ' ' CE1' ' A' ' 27' ' ' TYR . 93.5 m-20 -70.56 -30.85 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER 88.25 -19.28 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.491 179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.64 ' CE1' ' CB ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -90.86 -167.16 1.75 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 111.138 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 38.5 m -115.23 120.84 41.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.78 144.93 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.496 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 8.9 m95 -42.05 150.49 0.12 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.2 OUTLIER 173.63 91.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.579 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' O ' ' CB ' ' A' ' 33' ' ' THR . 22.0 t80 177.5 99.07 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.581 HG22 ' H ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER 87.71 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 -179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' H ' HG22 ' A' ' 33' ' ' THR . 0.2 OUTLIER -95.28 94.06 7.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.739 0.304 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.612 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 62.65 98.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.213 1.006 . . . . 0.0 110.547 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.497 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 1.1 mmt180 -72.99 98.19 2.46 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.795 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.647 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -65.96 176.83 1.51 Allowed 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.813 -179.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.845 ' HA ' HD21 ' A' ' 19' ' ' LEU . 1.1 mt -40.9 111.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 111.457 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 5' ' ' LEU . 4.1 m-85 86.86 38.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.516 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.18 130.78 9.65 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.535 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -54.91 113.59 3.74 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.55 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 29.3 p -131.89 141.79 49.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.031 0.443 . . . . 0.0 111.716 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.33 -18.39 18.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.161 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -144.48 162.84 35.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.067 -179.396 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.8 m -63.68 -31.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.704 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.64 2.85 24.04 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.007 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' THR . 9.0 m-20 -96.84 7.7 46.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.194 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.4 m -121.47 170.6 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 111.748 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.612 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.3 m -56.05 -146.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.65 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -71.78 0.63 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.492 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 4.8 m-70 -62.55 -10.06 10.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.2 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -91.9 166.5 12.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.17 124.21 1.56 Allowed Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.547 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.6 t -69.71 139.29 53.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.46 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -121.25 115.14 22.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.21 71.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.185 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 168.77 -46.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 1.4 m-20 -67.23 -34.04 76.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.722 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.5 tttp 87.23 -22.39 0.16 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HB3' ' A' ' 25' ' ' ASP . 2.1 p90 -113.83 -172.62 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.126 0.488 . . . . 0.0 111.064 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.674 ' HB2' HD22 ' A' ' 19' ' ' LEU . 25.8 m -106.9 129.16 54.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.697 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.46 144.38 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.732 ' NE1' HD11 ' A' ' 5' ' ' LEU . 10.8 m95 -43.49 148.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' TRP . 31.6 t70 176.56 72.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 33.6 t80 177.87 137.95 0.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.608 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 32' ' ' PHE . 70.5 p 54.71 -90.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' THR . 9.5 t80 -35.09 -35.26 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.144 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' THR . 48.5 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.727 0.298 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.616 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 49.69 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.117 0.96 . . . . 0.0 110.494 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.472 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.62 91.48 4.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.826 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.578 ' CG ' ' N ' ' A' ' 5' ' ' LEU . 8.7 t80 -54.49 170.83 0.14 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.664 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.857 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -36.85 120.33 0.71 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.923 0.392 . . . . 0.0 111.459 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 7.8 t80 82.81 24.1 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.836 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -101.84 119.78 6.6 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.531 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -45.21 130.4 8.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.87 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -141.69 139.36 32.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.4 . . . . 0.0 111.7 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -87.6 -21.68 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.307 0.575 . . . . 0.0 109.913 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -149.42 -178.3 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.028 178.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 11' ' ' THR . 3.8 m -72.27 -31.21 65.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.325 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -76.68 -10.77 59.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -82.64 9.97 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 24.6 m -126.32 167.59 15.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.55 0.69 . . . . 0.0 112.06 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.7 m -55.5 -146.52 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.261 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -92.8 -72.02 0.62 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.635 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -60.96 -11.71 8.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.477 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.857 HD21 ' HA ' ' A' ' 5' ' ' LEU . 2.0 mt -89.35 168.71 12.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.465 0.65 . . . . 0.0 112.495 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.49 121.36 1.09 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.261 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.7 t -68.38 102.93 1.5 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 24' ' ' ARG . 15.5 mmmt -85.04 115.66 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -57.56 77.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 171.03 -53.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.784 0.325 . . . . 0.0 111.381 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 2.5 m-20 -69.32 -30.59 68.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 -179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER 87.92 -21.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.911 -179.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -109.0 -168.19 1.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.744 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.1 m -107.99 131.46 54.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -127.55 145.0 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' NE1' ' CD1' ' A' ' 5' ' ' LEU . 35.1 m95 -39.22 149.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER 167.42 53.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER 170.55 116.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' SER . 11.9 p -109.5 179.22 4.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.5 t80 64.36 -70.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' THR . 52.4 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.802 0.334 . . . . 0.0 111.223 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 175.74 105.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.976 0.893 . . . . 0.0 111.116 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.63 105.29 11.77 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.782 -179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -62.27 -159.94 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.713 179.342 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.923 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.1 tp -57.01 130.3 45.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.04 0.447 . . . . 0.0 112.074 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 68.88 23.68 6.7 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.895 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -100.66 108.51 3.49 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.42 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -34.54 139.97 0.14 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.574 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 6.9 p -150.51 139.3 20.8 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.811 0.338 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -83.12 -21.74 33.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.189 0.519 . . . . 0.0 110.156 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -154.48 -176.22 5.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.399 179.387 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 2.2 m -73.04 -29.04 62.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.33 179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 84.8 p -78.95 -3.85 46.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.88 8.75 33.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.241 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 17.8 m -123.1 179.17 4.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 121.544 0.688 . . . . 0.0 111.644 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.9 m -70.36 -143.94 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.54 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -91.66 -70.62 0.68 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' ASP . 3.3 m-70 -63.16 -8.56 8.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.239 -178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.923 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -98.53 146.96 25.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.98 123.56 3.15 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.46 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.7 t -75.59 123.9 26.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 110.63 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.22 134.52 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.376 . . . . 0.0 111.054 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 8.6 p90 -55.56 136.86 49.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.696 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.4 OUTLIER 82.29 -8.75 1.23 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.817 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 24.2 t0 -81.26 -47.94 12.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 5.8 tmtm? 88.21 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.221 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CZ ' ' OD1' ' A' ' 25' ' ' ASP . 29.4 p90 -117.75 -171.64 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.693 ' HB2' HD22 ' A' ' 19' ' ' LEU . 37.4 m -104.45 131.15 52.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.513 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.76 141.79 50.15 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CE2' HD13 ' A' ' 5' ' ' LEU . 14.6 m95 -36.93 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -74.84 51.86 0.51 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 33' ' ' THR . 28.2 t80 -30.58 92.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER 170.96 142.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -130.75 55.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.866 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.78 0.324 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 176.63 96.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 122.248 1.023 . . . . 0.0 110.616 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -85.93 99.46 11.44 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.343 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.806 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -55.35 -160.06 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.691 -1.14 . . . . 0.0 109.785 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.35 135.2 50.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.498 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 16.4 m-30 66.33 15.96 10.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.052 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.518 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -82.46 127.29 7.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.707 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 112.31 4.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.865 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 3.6 p -118.42 141.22 48.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.768 0.318 . . . . 0.0 111.419 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -21.18 36.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.362 0.601 . . . . 0.0 109.998 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -159.61 -178.0 6.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.05 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.572 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.1 m -65.45 -31.43 72.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.564 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.4 25.33 1.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.292 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -116.14 2.75 13.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.7 m -114.74 167.43 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.312 0.577 . . . . 0.0 111.365 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 49.6 m -55.12 -144.51 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.442 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.48 -71.24 0.66 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.388 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 57.3 m170 -61.47 -9.82 6.46 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.105 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.7 OUTLIER -100.11 163.51 12.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.387 0.613 . . . . 0.0 112.553 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.34 135.71 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.363 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.572 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.8 t -74.12 117.78 16.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 111.397 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 23' ' ' PHE . 2.6 mtpp -118.23 119.07 33.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.723 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 2.9 m-30 -43.54 173.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.922 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 10.1 ttm180 91.64 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.378 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.592 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -112.57 -32.09 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 0.0 111.089 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 23.3 ttmt 84.84 -13.67 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.347 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -82.4 -167.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.599 ' HB2' HD22 ' A' ' 19' ' ' LEU . 21.7 m -115.59 141.65 47.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.196 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB3' ' CD ' ' A' ' 22' ' ' LYS . . . -139.58 147.0 40.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.745 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.599 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 6.5 m95 -45.0 145.65 0.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 110.992 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 13.1 t0 175.34 73.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.955 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 80.1 t80 169.4 90.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.7 p -130.07 147.93 51.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 66.46 -160.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 172.81 94.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.406 1.098 . . . . 0.0 110.686 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.484 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.77 101.99 6.96 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.337 179.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.747 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.6 t80 -56.11 -156.19 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.605 ' HA ' HD21 ' A' ' 19' ' ' LEU . 8.9 tp -73.78 122.69 22.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.024 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 83.56 22.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.134 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -102.63 134.3 11.75 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -58.98 126.32 42.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.316 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 1.9 p -128.02 139.32 52.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 111.186 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -24.49 43.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.497 0.665 . . . . 0.0 109.656 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -160.21 -174.55 4.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.591 179.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.553 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.4 m -70.7 -27.29 63.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 0.0 110.093 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.3 p -84.9 20.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.363 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.62 10.63 14.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 13.4 m -118.33 166.15 12.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.568 0.699 . . . . 0.0 111.954 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 47.5 m -56.59 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.844 -1.071 . . . . 0.0 112.61 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -73.48 0.54 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.108 -177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -62.89 -9.49 9.9 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.184 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.0 OUTLIER -97.97 162.57 13.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.454 0.645 . . . . 0.0 112.544 -178.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.13 131.98 3.0 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.674 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.9 t -74.42 118.77 17.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.656 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 3.1 mtmt -94.16 154.86 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.061 0.458 . . . . 0.0 111.705 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -32.92 121.92 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.455 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' PHE . 18.8 mtt180 30.54 38.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.51 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 9.9 t70 -75.62 -27.77 58.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.502 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.2 ttmt 86.37 -39.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.226 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -121.44 -169.23 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.433 . . . . 0.0 111.195 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -112.52 130.77 55.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.91 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.58 144.04 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 55.1 m95 -39.54 152.48 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 7.9 t0 91.04 97.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -84.24 133.83 34.56 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.0 p -96.14 159.14 15.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 42.11 68.16 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.745 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 36.5 tp10 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.837 0.351 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 170.58 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 122.086 0.946 . . . . 0.0 110.799 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -80.29 101.81 9.14 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.679 179.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.573 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.3 t80 -55.44 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.337 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.741 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -63.24 129.09 38.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.582 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 9.1 m-85 69.61 21.87 6.47 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.854 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -90.57 137.61 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.448 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.47 124.02 34.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.95 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 29.1 p -142.67 133.26 25.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 0.0 111.59 -179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -91.02 -15.46 29.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -147.65 163.74 35.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.346 -179.287 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.57 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 5.3 m -65.55 -32.26 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.678 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 p -82.05 8.45 10.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.973 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' CG ' ' OG1' ' A' ' 11' ' ' THR . 38.2 m-20 -101.66 1.79 38.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.612 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 33.5 m -116.03 171.79 7.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.388 0.613 . . . . 0.0 111.396 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.634 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 58.7 m -55.51 -147.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.981 -1.009 . . . . 0.0 112.374 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -71.51 0.64 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.357 -177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 92.0 m-70 -60.81 -11.99 9.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.037 -178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.5 mt -94.86 158.4 15.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.346 0.593 . . . . 0.0 112.297 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 32' ' ' PHE . . . -146.03 124.91 2.15 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.697 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.2 t -68.28 96.33 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 111.254 -179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' NZ ' ' CZ ' ' A' ' 24' ' ' ARG . 3.7 mtpt -87.48 169.86 11.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.583 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 45.68 1.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.352 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' CZ ' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -104.72 -92.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.775 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.577 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 67.2 m-20 -110.09 47.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.058 0.456 . . . . 0.0 110.46 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 3.1 pttt 37.84 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.672 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -113.27 -170.93 1.78 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.751 0.31 . . . . 0.0 110.946 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.598 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.8 m -115.59 126.24 53.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.7 144.59 50.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.723 ' CZ2' HD12 ' A' ' 5' ' ' LEU . 8.5 m95 -42.87 146.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 3.1 t0 82.35 96.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 26.3 p90 -86.06 51.76 2.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.916 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -111.53 -22.5 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.772 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 33' ' ' THR . 13.3 p90 42.02 -170.99 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.219 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.967 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.696 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -42.36 116.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.754 0.788 . . . . 0.0 111.328 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.491 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -81.33 106.9 13.66 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.66 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.595 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.75 -157.04 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.936 179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.691 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.8 tp -69.21 126.91 31.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 81.33 18.53 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.99 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.491 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -99.24 126.3 8.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.772 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -49.02 130.59 23.85 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.673 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.6 p -145.06 132.69 20.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.743 0.306 . . . . 0.0 111.433 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -21.93 41.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.186 0.517 . . . . 0.0 110.196 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -151.43 -177.77 6.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.523 179.275 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.539 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.0 m -73.54 -28.45 61.89 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.367 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -81.75 5.16 19.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -101.59 12.72 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 29.3 m -127.54 -176.9 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.482 0.658 . . . . 0.0 111.515 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.696 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.2 m -72.32 -146.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.843 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -70.96 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.227 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 6.7 m-70 -59.73 -11.86 5.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.7 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.691 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.8 mt -96.17 148.3 22.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.67 120.77 2.12 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.941 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.539 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.6 t -73.28 133.87 44.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.688 0.28 . . . . 0.0 111.275 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 6.6 mttt -84.65 156.6 21.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.151 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -33.45 91.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.916 0.388 . . . . 0.0 111.564 -179.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 34.29 36.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.126 179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -60.88 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.012 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 26.2 ttpt -176.63 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.681 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -119.75 -172.14 2.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.298 0.571 . . . . 0.0 111.649 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.643 ' HB2' HD22 ' A' ' 19' ' ' LEU . 12.7 m -105.34 133.81 49.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.894 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.44 142.23 50.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.898 0.38 . . . . 0.0 111.081 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.626 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 8.4 m95 -43.39 151.55 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.748 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 9.5 t70 110.79 91.73 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.954 0.784 . . . . 0.0 110.687 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CD2' HG23 ' A' ' 33' ' ' THR . 24.6 t80 -56.89 138.12 54.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.827 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.492 HG23 ' CD2' ' A' ' 32' ' ' PHE . 3.2 p 70.67 -162.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.835 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CD2' ' N ' ' A' ' 35' ' ' SER . 8.3 t80 -169.03 -69.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.609 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.443 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 1.1 tt0 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 79.98 138.32 0.07 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.586 0.708 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -124.39 104.96 9.07 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.592 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.635 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -56.34 -163.68 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.81 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.028 HD23 ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.66 129.35 41.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.572 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.475 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER 77.38 14.33 1.85 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.616 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.91 125.67 7.85 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.427 -0.892 . . . . 0.0 112.495 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -55.48 130.26 47.72 Favored Glycine 0 C--N 1.33 0.202 0 C-N-CA 120.51 -0.853 . . . . 0.0 112.199 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 7.8 p -138.64 139.82 38.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.448 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -22.56 25.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.268 0.556 . . . . 0.0 110.073 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.845 HG23 ' OD1' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -149.89 -177.67 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.1 179.091 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.536 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.7 m -74.17 -29.41 61.76 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.286 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 8.21 16.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.04 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.845 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.4 m-20 -100.36 0.1 39.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.236 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 30.0 m -111.59 176.83 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.611 . . . . 0.0 111.401 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.669 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 30.7 m -67.7 -146.05 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.97 -1.013 . . . . 0.0 112.55 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -91.59 -69.8 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.472 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -59.81 -10.83 4.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.986 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.908 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -100.01 168.11 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 112.886 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.33 128.91 2.17 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.386 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.0 t -79.74 139.9 37.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.43 165.03 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 23' ' ' PHE . 25.7 p90 -36.01 92.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.896 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 22' ' ' LYS . 8.6 ptt85 36.32 39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.127 0.489 . . . . 0.0 110.728 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -86.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 1.9 ttpt 176.95 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 46.4 p90 -119.1 -170.4 1.91 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.25 0.548 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.79 ' HB2' HD22 ' A' ' 19' ' ' LEU . 34.1 m -112.67 135.48 53.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.721 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.84 148.36 48.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.815 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 1.028 ' CE2' HD23 ' A' ' 5' ' ' LEU . 21.6 m95 -48.59 151.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 111.015 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' O ' ' CB ' ' A' ' 32' ' ' PHE . 2.3 t70 158.05 105.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.048 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 5.1 t80 110.06 116.03 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 O-C-N 124.148 0.905 . . . . 0.0 110.16 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -121.91 -11.51 8.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.74 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' O ' ' CZ ' ' A' ' 32' ' ' PHE . 54.5 p90 -128.59 115.2 17.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.92 0.391 . . . . 0.0 111.212 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 2' ' ' CYS . 2.3 mm-40 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.965 0.412 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 87.34 102.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.288 1.042 . . . . 0.0 111.396 179.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.75 106.18 8.27 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.329 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.582 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.13 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.11 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.899 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.83 123.88 19.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.227 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 48.3 m-85 72.68 31.21 1.7 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.462 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -102.56 121.2 7.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.195 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -42.27 126.57 4.31 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.222 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.494 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 13.9 p -142.08 131.9 24.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.938 0.399 . . . . 0.0 111.66 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 4.6 mmtm -80.03 -19.12 48.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.237 0.541 . . . . 0.0 109.958 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -154.76 -175.82 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.171 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 1.8 m -75.72 -28.59 58.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.144 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 t -77.85 -8.47 58.1 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -88.99 10.46 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.145 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' CB ' ' A' ' 9' ' ' CYS . 28.2 m -124.32 176.84 6.2 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.386 0.612 . . . . 0.0 111.659 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 60.5 m -67.03 -145.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.849 -1.068 . . . . 0.0 112.576 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -91.45 -70.46 0.68 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.459 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 31' ' ' ASP . 34.8 m-70 -62.22 -8.39 5.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.269 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.899 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.2 mt -97.93 145.46 26.44 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.01 118.59 2.33 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.128 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.2 t -69.89 116.95 10.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 111.197 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -109.5 124.1 50.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -60.63 98.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 161.84 -56.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.546 ' CG ' ' CZ ' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -80.59 -16.77 53.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.363 -179.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER 72.35 -5.46 1.79 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.996 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CZ ' ' CG ' ' A' ' 25' ' ' ASP . 2.4 p90 -118.53 -171.43 2.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.817 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.748 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m -101.5 124.76 47.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.088 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -111.9 141.06 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.894 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.48 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 8.7 m95 -37.28 157.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.647 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 18' ' ' HIS . 1.5 p30 -72.71 52.3 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.242 0.544 . . . . 0.0 111.2 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -39.07 89.69 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.145 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 31' ' ' ASP . 23.2 p -156.93 153.6 28.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.85 78.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.787 0.327 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -179.5 99.39 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 122.176 0.988 . . . . 0.0 110.784 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -82.53 98.11 8.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.682 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -53.01 -166.17 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.66 -1.154 . . . . 0.0 109.702 -179.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.714 ' HA ' HD21 ' A' ' 19' ' ' LEU . 2.1 tp -57.34 133.55 55.23 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m-85 72.49 14.92 5.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.23 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -88.81 129.82 9.83 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.33 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.502 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -57.46 127.21 44.38 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.638 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.6 p -137.97 136.94 37.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.738 0.304 . . . . 0.0 111.266 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -22.53 38.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.248 0.547 . . . . 0.0 110.463 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -157.52 -177.86 6.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.531 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.561 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 12.2 m -65.36 -32.74 74.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.339 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -86.24 40.45 0.88 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.791 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.28 12.22 3.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.491 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 29.4 m -128.55 170.59 13.02 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.543 0.687 . . . . 0.0 111.922 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.622 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.2 m -57.43 -146.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.631 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -71.02 0.66 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.448 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.4 m80 -61.99 -10.01 8.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.16 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD21 ' HA ' ' A' ' 5' ' ' LEU . 1.9 mt -97.32 155.02 17.07 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.45 128.93 3.52 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.181 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.0 t -73.18 132.16 42.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.899 0.349 . . . . 0.0 111.145 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -85.42 172.28 11.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.31 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -50.21 85.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.181 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 47.71 24.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 30.9 t70 -47.89 -68.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.753 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 15.7 tttp 158.34 -45.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CE1' ' OD2' ' A' ' 25' ' ' ASP . 16.0 p90 -120.46 -170.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.027 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 29.2 m -107.37 139.85 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.243 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -127.14 144.7 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.674 ' CE2' HD13 ' A' ' 5' ' ' LEU . 7.8 m95 -37.28 160.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.972 0.415 . . . . 0.0 110.71 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' HIS . 2.1 t0 -73.45 49.27 0.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -43.93 121.08 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 ' O ' ' O ' ' A' ' 34' ' ' PHE . 0.6 OUTLIER -93.42 -45.89 7.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.107 0.48 . . . . 0.0 110.86 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 33' ' ' THR . 54.3 p90 38.8 -163.94 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.891 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.992 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.924 0.393 . . . . 0.0 111.381 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 176.63 102.69 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 122.209 1.004 . . . . 0.0 110.584 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -75.35 99.95 4.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.682 -179.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.755 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -57.06 -156.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.606 179.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.594 HD13 ' CE2' ' A' ' 30' ' ' TRP . 6.8 tp -68.65 117.98 11.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.794 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 2.5 t80 85.06 30.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.273 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -105.13 130.53 10.26 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.474 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.27 115.96 8.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.402 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.0 p -125.06 141.63 52.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 0.0 111.4 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.22 -21.13 29.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.275 0.56 . . . . 0.0 110.054 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.3 OUTLIER -155.07 -175.16 5.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.273 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.547 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.6 m -73.1 -28.37 62.24 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.3 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.2 p -83.76 12.45 5.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.15 5.36 27.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.1 m -118.23 175.7 5.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.4 0.619 . . . . 0.0 111.535 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' A' ' 19' ' ' LEU . 56.3 m -62.65 -141.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.876 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -91.23 -75.17 0.48 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.321 0.581 . . . . 0.0 112.15 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -64.5 -9.18 17.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.785 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 4' ' ' TYR . 1.1 mt -93.94 133.14 37.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.327 0.584 . . . . 0.0 112.389 -178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.1 128.52 6.87 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.554 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.547 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 5.0 t -77.49 154.43 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 111.258 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' NZ ' ' HA ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -137.46 116.41 12.38 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 2.4 m-85 -52.24 92.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 23' ' ' PHE . 1.3 mtt180 160.48 -79.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.521 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.588 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 9.5 m-20 -55.08 -36.44 65.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.936 0.398 . . . . 0.0 110.162 179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 12.1 tttt 88.27 -22.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.812 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -91.55 -175.01 4.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 111.403 -179.721 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 20.1 m -111.97 130.47 55.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.998 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.22 144.85 50.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.728 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CE2' HD13 ' A' ' 5' ' ' LEU . 66.9 m95 -44.64 133.06 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 111.054 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' OD1' ' CE1' ' A' ' 32' ' ' PHE . 4.6 t70 16.5 51.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.195 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' CE1' ' OD1' ' A' ' 31' ' ' ASP . 31.5 p90 43.79 94.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 30' ' ' TRP . 68.5 p -141.72 162.73 34.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.07 112.36 8.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.049 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.792 0.33 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 166.41 95.33 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 122.185 0.993 . . . . 0.0 110.717 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.481 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -82.77 95.01 7.75 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.433 179.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -53.26 -162.92 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.143 -1.39 . . . . 0.0 109.942 -179.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -55.07 127.79 30.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.029 179.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 64.2 m-85 69.47 26.78 5.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.176 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -98.19 102.36 2.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.424 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -32.78 120.85 0.21 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.705 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 5.1 p -128.67 145.36 51.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.947 0.403 . . . . 0.0 111.331 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -88.43 -23.36 23.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.357 0.598 . . . . 0.0 110.07 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -152.84 -176.42 5.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.106 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.534 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.9 m -70.63 -30.47 67.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.35 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.49 7.7 11.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.27 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 11' ' ' THR . 1.0 OUTLIER -100.37 9.31 42.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.174 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 16.7 m -124.51 166.87 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.536 0.684 . . . . 0.0 111.701 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.581 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 48.8 m -54.34 -145.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.693 -1.14 . . . . 0.0 112.387 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 5.5 mmtt -92.04 -73.17 0.56 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.125 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' HB3' ' CE3' ' A' ' 30' ' ' TRP . 22.0 m170 -61.04 -11.75 9.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.035 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -94.73 152.4 18.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.326 0.584 . . . . 0.0 112.144 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -143.28 132.02 4.8 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.634 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.3 t -78.66 116.22 18.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.223 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -85.85 -177.4 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -91.64 122.1 33.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 83.5 -41.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.529 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 24.5 p-10 -35.37 -48.32 0.47 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 20.1 tttt 87.03 -24.96 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.69 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -113.61 -173.72 2.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.976 0.417 . . . . 0.0 111.362 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 7' ' ' GLY . 58.4 m -107.34 129.92 54.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' ' HD2' ' A' ' 22' ' ' LYS . . . -129.04 144.29 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.596 ' CZ2' HD23 ' A' ' 5' ' ' LEU . 10.0 m95 -36.08 142.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 0.0 110.986 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 2.0 m-20 152.22 101.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.511 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 5.9 t80 -144.17 109.43 5.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.3 p -107.87 168.22 9.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.034 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.61 37.41 3.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.723 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.867 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.626 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 69.59 100.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 122.18 0.99 . . . . 0.0 110.946 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.509 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -86.3 99.87 11.88 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.147 -1.388 . . . . 0.0 109.671 178.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -53.19 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.373 -179.414 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.778 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -64.25 121.68 14.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.308 179.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 77.54 26.07 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.356 179.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.85 140.91 15.3 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.29 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 3' ' ' ARG . . . -59.65 120.21 21.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 10.5 p -134.97 133.02 39.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 111.569 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.8 -18.18 38.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.206 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -154.44 -178.25 7.03 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.575 179.182 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.8 m -71.24 -32.36 68.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.346 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -81.7 5.67 17.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -99.25 13.41 33.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 33.5 m -124.91 167.77 14.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.505 0.669 . . . . 0.0 111.941 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.626 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 59.7 m -53.05 -145.73 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.645 -1.161 . . . . 0.0 112.633 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.77 -70.49 0.69 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 70.2 m80 -65.51 -9.55 27.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.53 -177.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -94.21 160.22 14.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.63 0.729 . . . . 0.0 112.547 -178.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.81 123.37 1.7 Allowed Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.063 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 11' ' ' THR . 4.6 t -71.27 151.25 44.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 0.0 111.472 -178.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 125.52 16.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.222 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -66.35 83.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.285 -179.739 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 175.78 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.567 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 6.4 m-20 -95.45 -31.26 13.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.45 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 12.7 tttt 88.82 -26.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.5 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 12.6 p90 -97.51 -171.22 2.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' HB2' HD22 ' A' ' 19' ' ' LEU . 33.6 m -105.24 139.93 39.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.131 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.27 142.92 39.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.652 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 8.6 m95 -38.51 148.16 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER 177.84 82.07 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.908 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 3.9 t80 174.91 95.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 34' ' ' PHE . 50.6 p -117.14 -104.0 0.41 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 33' ' ' THR . 24.2 m-85 66.33 115.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.751 0.31 . . . . 0.0 110.632 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.906 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 4.0 mm-40 . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.906 0.384 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -35.25 96.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 122.366 1.079 . . . . 0.0 110.909 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.471 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.22 94.04 3.48 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.514 -1.221 . . . . 0.0 109.985 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.89 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.65 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.787 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.726 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.08 125.21 19.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.878 179.467 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 68.99 33.0 3.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.93 125.09 8.46 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -51.15 111.11 1.17 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.307 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.8 p -124.3 139.32 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 0.0 111.614 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -24.01 22.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.461 0.648 . . . . 0.0 109.848 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -148.77 179.76 7.6 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.23 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 11' ' ' THR . 8.6 m -68.84 -33.31 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.686 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -79.74 5.34 13.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.523 ' CG ' HG23 ' A' ' 11' ' ' THR . 77.2 m-20 -96.03 6.99 47.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 15.8 m -120.73 169.36 10.47 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.754 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 34.9 m -57.09 -146.08 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.388 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -91.68 -70.62 0.68 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.185 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -63.33 -9.37 11.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.226 -178.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.89 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.6 OUTLIER -97.86 165.48 11.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.42 0.629 . . . . 0.0 112.456 -179.201 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.25 130.77 2.99 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.143 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 11' ' ' THR . 3.4 t -69.18 122.64 19.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.968 0.413 . . . . 0.0 111.256 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -92.14 -165.67 1.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.399 -179.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.47 ' O ' ' O ' ' A' ' 22' ' ' LYS . 25.9 p90 -51.98 -161.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.554 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 25' ' ' ASP . 1.8 ttm180 -41.85 -23.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.056 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.567 ' OD2' ' CD1' ' A' ' 27' ' ' TYR . 1.2 p-10 -25.77 -44.24 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.201 0.313 . . . . 0.0 111.362 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 2.7 tptm 87.63 -16.81 0.34 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CD1' ' OD2' ' A' ' 25' ' ' ASP . 13.5 p90 -106.43 -172.84 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.226 0.536 . . . . 0.0 111.959 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.623 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.0 m -117.74 150.35 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.874 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -143.08 146.26 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 7.7 m95 -37.72 153.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.645 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 25.0 t70 95.02 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.243 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' CD1' HG23 ' A' ' 33' ' ' THR . 17.1 t80 -63.52 111.04 2.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.609 HG23 ' CD1' ' A' ' 32' ' ' PHE . 1.2 p 54.77 -157.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -108.38 -25.46 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.824 -179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER 62.51 100.28 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 122.319 1.057 . . . . 0.0 110.458 -179.636 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -74.78 98.09 3.41 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.392 -179.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.797 ' HA ' HD13 ' A' ' 19' ' ' LEU . 2.4 t80 -57.87 -159.51 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.44 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -65.98 132.41 48.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 75.84 6.98 3.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.143 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 27' ' ' TYR . . . -80.59 145.21 26.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.554 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -73.09 112.32 3.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.258 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 26.5 p -125.87 142.97 51.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 111.564 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -98.81 -22.22 15.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.496 0.665 . . . . 0.0 110.015 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -141.82 164.98 28.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.66 -179.317 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -65.6 -32.29 73.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.187 0.518 . . . . 0.0 109.941 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 8.6 9.18 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -99.62 -3.28 33.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.474 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.458 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 31.2 m -110.31 174.83 5.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.567 0.699 . . . . 0.0 111.462 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.617 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 37.0 m -61.89 -146.76 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.615 -179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -91.3 -70.75 0.67 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.233 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 31' ' ' ASP . 89.4 m-70 -61.11 -10.44 6.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.848 -178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -99.33 163.82 12.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.31 131.15 3.0 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.676 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 1.6 t -73.74 121.45 20.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.69 161.59 14.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -70.61 145.81 50.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.52 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.38 14.96 5.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.137 0.494 . . . . 0.0 109.879 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -144.76 68.94 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.61 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 20.6 pttt -45.5 -19.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.576 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' GLY . 40.9 p90 -83.61 -172.51 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.917 0.389 . . . . 0.0 110.77 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.544 ' HB2' HD22 ' A' ' 19' ' ' LEU . 27.0 m -114.75 133.06 56.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.345 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.51 145.86 50.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.529 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.637 ' CE2' ' CD1' ' A' ' 5' ' ' LEU . 18.7 m95 -41.99 154.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.816 0.341 . . . . 0.0 111.052 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 30' ' ' TRP . 7.6 m-20 89.07 92.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 33' ' ' THR . 2.9 t80 -62.58 116.85 5.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' PHE . 12.8 t 44.96 -154.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 75.6 -165.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.912 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.75 0.309 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 70.5 102.5 0.06 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 122.034 0.921 . . . . 0.0 110.606 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.537 ' HG3' ' CA ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -80.8 102.24 9.86 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.671 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.3 t80 -66.66 174.45 2.86 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.321 -1.309 . . . . 0.0 109.754 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.828 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -32.35 122.79 0.33 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 5' ' ' LEU . 70.8 m-85 75.87 27.28 0.96 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.173 178.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' CA ' ' HG3' ' A' ' 3' ' ' ARG . . . -100.59 117.93 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.319 -0.944 . . . . 0.0 112.354 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.3 130.47 11.11 Favored Glycine 0 N--CA 1.454 -0.163 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.936 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 18.8 p -144.64 137.57 26.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.175 0.512 . . . . 0.0 111.937 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.51 -16.96 29.55 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.99 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -149.81 163.69 37.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.261 -179.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.52 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 2.5 m -64.34 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.606 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 2.11 20.32 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.851 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' THR . 64.9 m-20 -98.26 16.2 22.16 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.196 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 28.6 m -129.5 173.16 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.489 0.662 . . . . 0.0 111.569 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 56.8 m -60.08 -143.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.387 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.37 -73.13 0.56 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.346 -177.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' ASP . 78.9 m-70 -62.48 -9.88 9.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.087 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.828 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -94.99 143.12 26.73 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.4 126.01 4.02 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.439 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.5 t -69.11 129.46 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.679 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -121.81 142.21 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.133 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.67 59.99 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.458 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.05 -74.47 0.22 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.972 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.608 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 17.3 m-20 -74.09 -26.89 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.01 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 23.7 mtpp 89.66 -10.77 0.38 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.377 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -102.76 -171.58 1.98 Allowed 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 120.969 0.414 . . . . 0.0 110.783 179.316 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 19' ' ' LEU . 56.1 m -98.36 120.74 39.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB3' ' HD2' ' A' ' 22' ' ' LYS . . . -117.06 140.68 49.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.557 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' O ' ' O ' ' A' ' 29' ' ' ALA . 20.2 m95 -35.04 155.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.789 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 18' ' ' HIS . 75.9 m-20 -73.22 51.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.424 . . . . 0.0 110.788 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' ASP . 23.1 t80 -32.69 91.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.34 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -59.27 -179.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.645 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER 56.99 98.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.2 p . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.847 -179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.475 ' HG2' ' NH1' ' A' ' 3' ' ' ARG . 4.7 pt-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.652 0.263 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -43.9 95.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 122.468 1.127 . . . . 0.0 110.557 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -77.3 99.72 5.62 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.898 ' HA ' HD13 ' A' ' 19' ' ' LEU . 3.6 t80 -70.22 174.09 5.95 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.03 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.634 ' CA ' HD21 ' A' ' 19' ' ' LEU . 1.4 mt -29.58 125.44 0.14 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 50.5 m-85 70.04 32.01 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.664 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 3' ' ' ARG . . . -103.19 127.3 9.13 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.523 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 3' ' ' ARG . . . -60.82 113.81 5.97 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.45 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 14' ' ' ASP . 6.9 p -121.69 144.77 48.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.951 0.405 . . . . 0.0 111.466 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HB2' ' OD2' ' A' ' 14' ' ' ASP . 0.4 OUTLIER -83.3 -24.26 32.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.246 0.546 . . . . 0.0 109.92 179.13 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -160.32 -178.26 6.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.42 179.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.566 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 18.0 m -62.02 -33.78 74.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.452 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -86.1 39.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' A' ' 9' ' ' CYS . 3.5 m-20 -135.3 4.94 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.212 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' O ' ' A' ' 16' ' ' CYS . 21.3 m -116.84 169.91 9.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.248 0.547 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.5 m -55.53 -140.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.342 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -92.2 -74.59 0.51 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.336 0.589 . . . . 0.0 112.244 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' HB2' ' CZ3' ' A' ' 30' ' ' TRP . 42.6 m-70 -64.13 -10.39 22.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.018 -178.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.898 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -95.57 137.87 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.61 136.11 9.85 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.848 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 4.1 t -67.03 131.69 46.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.984 0.421 . . . . 0.0 111.324 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 149.16 38.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.787 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -91.83 51.67 1.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -120.17 -63.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' C ' ' HG2' ' A' ' 26' ' ' LYS . 15.7 t70 -114.51 0.47 14.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 25' ' ' ASP . 19.1 mmtp 77.06 14.34 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 111.053 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -169.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 66.7 m -116.45 125.72 52.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.181 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' TRP . . . -130.65 145.98 52.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.514 ' CE3' ' HG ' ' A' ' 19' ' ' LEU . 11.0 m95 -37.16 149.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.437 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -168.05 90.14 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 111.125 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' C ' HG23 ' A' ' 33' ' ' THR . 71.9 t80 178.09 74.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.966 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 ' C ' ' A' ' 32' ' ' PHE . 1.5 p 69.26 160.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.046 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER 179.5 46.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.913 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' CYS . 8.5 pt-20 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -35.07 105.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.08 0.943 . . . . 0.0 111.221 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -81.41 102.75 10.7 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.301 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.643 ' HA ' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -59.66 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.135 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.968 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -58.3 126.44 27.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.329 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.439 ' HA ' ' HB2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 69.51 29.09 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.195 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -94.76 135.35 12.4 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.466 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -60.41 117.16 10.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.128 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 12.7 p -128.58 138.24 52.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.84 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -84.94 -23.48 28.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.45 0.643 . . . . 0.0 109.877 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -152.38 -178.49 6.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.12 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 8.3 m -68.79 -32.35 72.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.76 8.69 11.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' ' 10' ' ' LYS . 43.7 m-20 -100.46 8.73 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.05 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 22.5 m -122.39 174.49 6.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 111.715 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.655 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 57.8 m -62.1 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.069 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.8 -70.45 0.69 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.357 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.3 -13.32 7.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.004 -178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.968 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -95.75 157.13 16.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -178.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.61 124.03 1.92 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.967 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 2.7 t -65.32 124.75 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -80.63 95.24 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 42.2 54.22 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 7.9 mtm180 42.07 30.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.59 -71.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -168.09 -52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.283 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . 11.1 p90 -112.81 -171.85 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.055 0.455 . . . . 0.0 111.656 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.821 ' HB2' HD22 ' A' ' 19' ' ' LEU . 20.5 m -114.28 134.46 54.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.971 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.65 144.46 50.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.36 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.536 ' CZ2' ' HG ' ' A' ' 5' ' ' LEU . 33.4 m95 -44.88 118.54 1.66 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.187 0.518 . . . . 0.0 110.671 -179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER 17.62 50.05 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.264 -1.335 . . . . 0.0 111.997 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 30' ' ' TRP . 1.0 OUTLIER -115.93 129.19 56.29 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.333 -179.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.2 p -148.15 126.79 12.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.749 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 60.89 -71.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.908 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.863 0.364 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 172.9 96.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 122.237 1.017 . . . . 0.0 110.55 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.498 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -80.53 96.92 6.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.242 179.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.798 ' HA ' HD13 ' A' ' 19' ' ' LEU . 86.3 t80 -61.52 177.69 0.37 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.724 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.776 HD13 ' CE2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -33.97 126.94 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.776 ' CE2' HD13 ' A' ' 5' ' ' LEU . 46.4 m-85 71.55 21.5 4.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.842 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.464 ' O ' ' SG ' ' A' ' 28' ' ' CYS . . . -90.34 126.86 8.52 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.4 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.31 114.21 5.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.949 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 p -125.93 136.7 53.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 111.612 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -85.41 -22.91 28.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.251 0.548 . . . . 0.0 109.953 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -149.59 -179.27 6.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 178.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 3.3 m -70.73 -28.69 64.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.509 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.5 m -84.28 15.15 3.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.99 4.32 23.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.218 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 29.7 m -119.54 166.2 13.43 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.557 0.694 . . . . 0.0 111.921 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.628 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 53.5 m -54.54 -144.6 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.579 -179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.73 -71.62 0.63 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.018 -177.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TRP . 38.4 m170 -60.95 -10.91 6.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.883 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.798 HD13 ' HA ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -100.77 142.47 32.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.91 131.42 6.29 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.866 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 12' ' ' THR . 3.1 t -71.03 123.93 23.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.975 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 1.3 mptm? -110.05 166.82 10.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.311 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -86.98 159.28 19.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.78 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.94 58.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.55 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 176.54 -59.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.502 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' ASP . 1.6 mttp 88.78 3.09 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.676 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CZ ' ' CB ' ' A' ' 25' ' ' ASP . 0.4 OUTLIER -102.17 -175.71 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.843 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 3' ' ' ARG . 72.0 m -109.8 119.92 40.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.758 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -120.42 140.7 50.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.758 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.484 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 18.9 m95 -35.32 155.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.668 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' PHE . 51.9 m-20 -74.91 50.08 0.44 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.906 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' ASP . 5.9 t80 -36.33 126.5 0.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.257 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.7 p -47.4 148.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -132.47 25.77 4.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.008 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 3.0 mt-10 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.656 0.265 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 166.47 105.04 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.005 0.907 . . . . 0.0 111.335 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' H ' ' HA ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -90.51 98.07 11.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.173 -1.376 . . . . 0.0 110.247 179.2 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.659 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.7 t80 -54.04 -163.13 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.677 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.791 ' HA ' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -62.18 122.79 16.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.894 179.573 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.499 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 79.45 26.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 3' ' ' ARG . . . -96.06 127.02 9.01 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 26' ' ' LYS . . . -54.26 114.89 4.61 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.42 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' A' ' 27' ' ' TYR . 6.2 p -125.62 146.49 49.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.1 0.476 . . . . 0.0 111.545 -179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.69 -27.9 16.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.492 0.663 . . . . 0.0 109.776 179.046 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -143.58 -178.95 6.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.891 -1.049 . . . . 0.0 110.209 179.019 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.527 ' HA ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 m -70.73 -31.53 68.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.676 179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 t -81.69 0.82 37.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.349 -179.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -91.16 12.27 20.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' HA ' ' H ' ' A' ' 3' ' ' ARG . 25.4 m -122.56 166.9 14.07 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.493 0.663 . . . . 0.0 112.094 -179.539 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 54.6 m -54.17 -144.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.658 -1.155 . . . . 0.0 112.322 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 -72.38 0.59 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.355 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 31' ' ' ASP . 50.1 m170 -63.31 -10.12 14.82 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.236 -177.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -96.94 160.67 14.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.417 0.627 . . . . 0.0 112.407 -179.42 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -153.6 126.89 2.03 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.24 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 11' ' ' THR . 2.1 t -71.37 131.66 43.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.223 -179.271 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.506 ' HD3' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -96.15 108.14 20.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.457 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' ARG . 21.8 m-85 33.52 62.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.452 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 19.4 ttm180 35.05 38.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.506 ' HB3' ' HD3' ' A' ' 22' ' ' LYS . 18.5 p-10 -55.78 -52.03 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' O ' ' HA2' ' A' ' 8' ' ' GLY . 0.2 OUTLIER 164.66 -45.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.46 -179.827 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.463 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 24.9 p90 -120.12 -174.08 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.129 0.49 . . . . 0.0 111.718 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 73.9 m -110.1 131.47 55.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.219 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' A' ' 30' ' ' TRP . . . -119.97 144.31 47.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 179.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.734 ' CE2' HD23 ' A' ' 5' ' ' LEU . 11.3 m95 -34.87 157.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' HIS . 10.8 t0 -67.62 55.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 31' ' ' ASP . 41.2 t80 -25.76 99.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.68 -179.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.7 p -82.03 -174.69 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.528 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -153.79 -55.58 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 -179.893 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.944 -179.825 . . . . . . . . 1 1 . 1 stop_ save_