data_1p00_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 1p00 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 69.9 m-20 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.683 0.278 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -110.34 125.37 53.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.217 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.442 HD22 ' O ' ' A' ' 40' ' ' CYS . 3.2 tm? -88.12 121.93 31.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.495 HD13 ' SG ' ' A' ' 22' ' ' CYS . 43.8 pt -115.09 -19.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.422 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.61 -148.89 8.96 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.975 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 11.9 m -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 111.051 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.45 42.86 1.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.481 0.658 . . . . 0.0 110.087 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 8' ' ' VAL . 14.9 p -129.35 131.66 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.097 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -68.77 119.43 13.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.248 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.9 -43.09 1.31 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.853 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -63.72 146.68 53.38 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 122.232 0.213 . . . . 0.0 110.957 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.79 33.19 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.981 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 11' ' ' ALA . 15.1 p30 -162.66 41.26 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.508 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' SER . 35.8 t80 -71.01 126.73 30.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.984 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 p -91.09 129.25 37.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.186 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -38.98 83.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.582 0.706 . . . . 0.0 109.605 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -156.56 105.8 2.27 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.78 -54.35 15.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -63.99 -46.81 82.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -61.81 -51.91 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -56.98 -46.82 81.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.593 0.235 . . . . 0.0 111.558 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 4' ' ' ILE . 73.6 m -62.55 -43.25 99.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.737 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.59 -42.03 87.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 110.443 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.5 mtp180 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.21 29.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.574 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.93 42.75 92.6 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 114.767 0.667 . . . . 0.0 114.767 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 76.8 m-85 -117.66 156.74 27.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.369 0.585 . . . . 0.0 109.982 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -60.66 -37.08 80.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.316 0.579 . . . . 0.0 110.568 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . 179.2 -146.37 7.14 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.97 143.7 6.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.504 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -132.9 138.39 46.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.11 0.481 . . . . 0.0 111.197 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 49.7 t -93.48 129.28 39.72 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -164.21 -132.21 1.32 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.181 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 34.9 t 69.96 -141.01 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.7 t80 -81.33 99.29 8.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.637 0.256 . . . . 0.0 110.885 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.65 58.5 3.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.906 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.609 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 17.0 p30 40.95 52.78 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.257 1.023 . . . . 0.0 112.89 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 HG12 ' N ' ' A' ' 39' ' ' ASN . 11.5 p -97.41 -43.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.637 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.582 ' N ' HG12 ' A' ' 38' ' ' VAL . 60.7 m-80 -94.57 138.1 32.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' O ' HD22 ' A' ' 3' ' ' LEU . 2.8 t -104.86 118.38 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.898 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 69.6 m95 -114.87 122.48 46.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 111.7 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' HG23 ' A' ' 4' ' ' ILE . 27.1 m -75.07 138.58 42.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.929 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 72.3 mm-40 -66.42 118.6 10.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.501 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.847 179.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 60.9 m-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -146.77 128.34 15.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.462 0.172 . . . . 0.0 111.105 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.5 tp -88.66 122.57 32.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.539 HD12 ' SG ' ' A' ' 22' ' ' CYS . 46.1 pt -112.32 -15.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.224 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.99 -143.75 7.21 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.321 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -149.4 137.27 20.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.036 0.446 . . . . 0.0 110.253 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 m -84.08 43.64 0.95 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.886 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.514 HG12 ' HB1' ' A' ' 11' ' ' ALA . 12.3 p -128.52 131.45 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -68.53 135.81 52.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.794 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.88 -32.06 7.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.218 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.514 ' HB1' HG12 ' A' ' 8' ' ' VAL . . . -67.07 141.36 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.403 . . . . 0.0 110.922 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.75 37.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 122.175 0.988 . . . . 0.0 110.522 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -172.61 44.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.424 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -73.17 138.72 45.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.574 ' HG1' ' HG3' ' A' ' 21' ' ' GLU . 4.3 t -122.7 134.26 54.47 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.415 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -75.31 -26.07 58.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -158.79 104.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -55.48 -51.43 67.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.889 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -58.82 -51.27 70.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.83 -46.34 84.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.0 111.734 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' HG1' ' A' ' 15' ' ' THR . 64.9 mm-40 -60.69 -47.06 87.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.411 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 4' ' ' ILE . 81.3 m -65.97 -41.66 90.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.38 -42.18 95.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.2 mtm180 -65.88 -42.52 90.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.52 HH11 ' HG3' ' A' ' 25' ' ' ARG . 54.6 mtt85 -59.98 -50.52 73.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.73 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.91 41.6 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.231 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 84.6 m-85 -125.97 152.02 46.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.723 0.296 . . . . 0.0 110.704 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -57.52 -36.91 72.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.543 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.67 -158.13 12.28 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.87 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -171.3 147.44 10.3 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -153.75 142.32 20.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.196 0.498 . . . . 0.0 111.532 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -86.76 132.94 33.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -171.53 -142.45 3.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.601 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 45.6 m 59.58 -141.29 0.63 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.526 0.33 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.22 127.32 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.98 10.57 2.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.217 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 9.7 t-20 49.72 47.66 22.61 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.504 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.43 -32.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.665 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 33.6 m-80 -53.53 123.99 13.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 111.448 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.55 108.28 18.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.742 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -114.0 118.98 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.085 0.469 . . . . 0.0 110.545 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.556 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 25.5 m -72.1 135.04 46.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.299 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.65 120.59 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 1' ' ' ASP . 32.2 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.606 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.492 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 34.1 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -136.08 128.68 30.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.007 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' O ' ' A' ' 40' ' ' CYS . 23.3 tp -92.32 118.07 30.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.415 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.627 HG23 ' SG ' ' A' ' 42' ' ' CYS . 42.3 pt -96.68 -22.93 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.801 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.07 -153.37 14.48 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.865 -1.16 . . . . 0.0 113.027 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 6.1 m -132.7 139.04 47.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 111.179 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 22.5 m -88.02 39.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 38' ' ' VAL . 67.0 t -136.31 129.7 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -67.69 130.96 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.747 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.32 -45.64 1.11 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -70.66 138.73 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.393 -0.404 . . . . 0.0 110.22 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.57 41.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.467 0.651 . . . . 0.0 111.092 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 11' ' ' ALA . 17.2 p30 -163.34 35.78 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.127 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' SER . 49.6 t80 -64.18 125.81 25.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.201 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -95.78 123.67 39.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -70.8 -53.31 15.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 0.0 110.693 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.5 m120 -131.89 75.88 1.67 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.8 t -28.63 -61.49 0.12 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -62.14 -47.7 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.04 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.829 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 38.9 mm-40 -59.58 -50.17 74.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.452 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.576 ' SG ' HD13 ' A' ' 4' ' ' ILE . 54.6 m -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 47.6 mtpt -59.86 -40.89 90.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.9 -45.62 93.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 92.8 mtt180 -70.27 -54.02 14.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.445 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.68 44.44 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.028 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.545 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 83.2 m-85 -130.48 156.78 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.62 -40.93 96.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.193 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.15 8.31 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.782 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.06 155.44 20.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -151.59 138.12 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 0.0 111.919 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -88.15 125.63 34.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.0 -133.28 1.54 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 119.57 -1.3 . . . . 0.0 113.255 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.439 ' CB ' HD21 ' A' ' 39' ' ' ASN . 25.7 m 70.45 -141.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.243 0.617 . . . . 0.0 109.613 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -61.69 102.27 0.25 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 68.19 -69.3 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.186 0.929 . . . . 0.0 110.738 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 176.79 112.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.621 ' HA ' HG22 ' A' ' 8' ' ' VAL . 2.3 p -164.05 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.439 HD21 ' CB ' ' A' ' 34' ' ' SER . 79.9 m-20 -72.9 132.78 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.978 0.418 . . . . 0.0 111.989 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 6.0 t -104.34 103.21 12.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.886 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -99.26 127.55 45.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.937 0.399 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.627 ' SG ' HG23 ' A' ' 4' ' ' ILE . 55.5 m -86.11 132.12 34.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.637 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.04 104.53 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.806 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 1' ' ' ASP . 12.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.658 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.566 ' H3 ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.58 0.229 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.447 ' HG3' ' HE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -125.23 132.72 52.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.873 0.368 . . . . 0.0 110.341 179.276 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 40' ' ' CYS . 51.6 tp -83.92 124.38 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.873 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.508 HD13 ' SG ' ' A' ' 22' ' ' CYS . 42.7 pt -106.23 -20.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.284 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.68 159.18 24.15 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.302 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 9.2 t -77.25 129.05 35.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -86.16 51.56 2.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.587 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.699 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 10.8 p -137.2 137.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.264 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -65.85 120.98 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.238 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.95 -40.82 1.62 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.525 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -65.82 139.31 58.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.52 0.2 . . . . 0.0 110.788 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -78.47 36.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.303 0.573 . . . . 0.0 111.381 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 11' ' ' ALA . 10.1 p30 -163.26 34.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.071 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 6' ' ' SER . 9.4 t80 -78.79 118.45 20.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.822 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -110.24 84.81 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.974 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -54.22 -48.85 70.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.701 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 7.6 m120 -94.58 59.42 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.369 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.2 t -45.56 -52.1 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.282 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 13.2 tpt180 -57.04 -49.93 74.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.508 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -67.97 -46.12 72.25 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 21' ' ' GLU . 4.8 mm-40 -60.07 -46.9 88.01 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.508 ' SG ' HD13 ' A' ' 4' ' ' ILE . 89.9 m -61.08 -45.52 94.39 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.189 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 48.1 mtmt -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.7 tmm_? -63.95 -41.77 97.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.809 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.7 mtt180 -68.76 -55.63 10.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.88 44.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.397 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 71.0 m-85 -126.48 156.04 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.94 -48.59 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.48 -151.78 5.7 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.107 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . 177.63 151.16 9.0 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -163.03 141.98 8.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.73 123.19 30.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.601 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' HA2' ' OD1' ' A' ' 37' ' ' ASN . . . -161.25 -139.71 2.71 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.177 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 16.8 t 66.17 -149.6 0.21 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.647 0.379 . . . . 0.0 110.095 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' O ' HG21 ' A' ' 38' ' ' VAL . 31.4 t80 -56.18 117.8 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.351 0.261 . . . . 0.0 111.359 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.46 22.37 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.382 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' OD1' ' HA2' ' A' ' 33' ' ' GLY . 71.9 m-20 54.53 25.45 6.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.848 0.459 . . . . 0.0 111.93 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.699 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.1 m -102.58 34.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.165 0.507 . . . . 0.0 111.242 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 50.1 m-80 -140.11 129.85 24.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.415 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 3' ' ' LEU . 3.0 t -91.42 112.19 23.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -112.45 120.91 43.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.595 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 27.7 m -74.25 125.68 28.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.53 115.85 4.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.178 0.513 . . . . 0.0 109.768 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.566 HG21 ' H3 ' ' A' ' 1' ' ' ASP . 14.8 t . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.251 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -113.75 122.46 47.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 39' ' ' ASN . 32.5 tp -82.27 129.38 34.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.664 HG22 ' SG ' ' A' ' 42' ' ' CYS . 40.6 pt -117.43 -18.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.302 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.94 -150.37 9.85 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.058 -1.068 . . . . 0.0 113.03 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -113.47 160.51 18.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.221 0.534 . . . . 0.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.14 37.31 4.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.62 0.724 . . . . 0.0 109.824 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.9 p -140.89 141.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.678 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -68.67 132.4 46.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.13 -46.1 1.14 Allowed Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.6 140.48 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.2 35.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.447 0.641 . . . . 0.0 110.925 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 11' ' ' ALA . 73.2 m-80 -153.33 26.24 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.459 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -79.34 136.86 37.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -148.27 128.62 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 p -72.82 -45.53 57.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.366 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.871 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 7.2 m120 -81.36 59.85 4.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -57.51 -53.28 59.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.3 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 67.8 ttt180 -63.26 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . . . -60.59 -41.83 95.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.59 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -58.28 -48.63 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.233 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' A' ' 4' ' ' ILE . 55.5 m -63.24 -40.2 96.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.626 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 99.0 mttt -64.88 -40.15 94.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 21' ' ' GLU . 4.7 tmm_? -62.02 -42.26 98.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.677 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 89.0 mtt180 -74.41 -45.87 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.88 57.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.308 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -134.99 160.17 39.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.981 0.39 . . . . 0.0 110.645 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.75 -39.32 73.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.34 -152.78 8.78 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.806 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -168.52 144.06 8.54 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -154.65 147.21 24.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.255 0.55 . . . . 0.0 111.362 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.8 m -84.58 121.74 28.05 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.47 -142.15 3.5 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.879 -1.153 . . . . 0.0 113.325 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 80.6 p 56.52 -139.47 0.92 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.542 0.737 . . . . 0.0 110.279 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.2 t80 -61.39 113.55 2.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 47.35 27.74 0.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.1 m-80 55.56 27.52 10.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.685 0.394 . . . . 0.0 111.883 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 35' ' ' PHE . 17.6 m -90.43 9.8 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.464 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 79.2 m-20 -129.27 138.63 51.75 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.86 115.0 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.483 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -115.35 122.75 46.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.664 ' SG ' HG22 ' A' ' 4' ' ' ILE . 55.7 m -75.11 134.31 41.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.343 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.95 114.51 4.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.464 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 61.2 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.829 0.347 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.729 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -157.44 101.45 1.86 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 15.7 tp -70.92 125.18 26.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.477 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.617 HG21 ' SG ' ' A' ' 42' ' ' CYS . 33.8 pt -120.76 -14.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.02 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.47 -152.36 10.97 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.516 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.7 m -138.14 135.66 35.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 0.0 110.736 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.9 m -84.25 44.33 1.01 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.126 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.5 p -139.25 135.99 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -66.98 133.9 50.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.62 -41.21 2.12 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.149 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.62 141.43 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.06 31.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.472 0.653 . . . . 0.0 111.438 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.514 ' H ' ' C ' ' A' ' 11' ' ' ALA . 5.9 p30 -165.52 42.97 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.818 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' SER . 22.6 t80 -64.62 131.41 46.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.427 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.472 HG21 ' HG3' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -122.79 122.9 39.81 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.952 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 p -75.1 -43.3 53.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.396 0.617 . . . . 0.0 109.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -133.25 82.59 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 37.1 t -44.32 -50.61 8.97 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.128 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.12 -50.53 73.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.433 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.695 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HG3' HG21 ' A' ' 15' ' ' THR . 71.2 mm-40 -60.68 -48.46 81.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 68.7 m -63.11 -44.72 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.836 0.35 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.17 -37.33 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.399 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -62.29 -44.42 96.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.166 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -68.34 -54.04 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.17 44.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.549 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 86.3 m-85 -120.36 159.12 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.93 -43.76 86.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -168.98 -150.31 6.64 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.16 155.12 18.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.017 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -160.76 139.89 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.0 m -90.03 125.91 35.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -159.07 -146.3 4.51 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.225 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.707 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 34.7 t 64.87 -143.81 0.24 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.5 t80 -58.95 119.13 6.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.685 0.279 . . . . 0.0 111.522 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.2 17.44 2.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.286 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 75.3 m-20 56.0 32.11 19.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.461 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.2 m -97.2 -30.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.433 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.707 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 58.1 m-20 -64.95 125.44 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 111.431 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.9 t -93.65 115.47 27.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.602 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 1' ' ' ASP . 44.9 m95 -115.32 119.51 36.55 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' HG21 ' A' ' 4' ' ' ILE . 37.3 m -76.04 138.64 40.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 33.1 mm-40 -69.16 118.66 12.34 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 HG22 ' HB2' ' A' ' 2' ' ' LYS . 34.8 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.862 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -104.65 119.3 38.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.428 ' C ' HD11 ' A' ' 3' ' ' LEU . 3.1 tm? -83.13 124.88 30.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.487 HD11 ' SG ' ' A' ' 22' ' ' CYS . 43.7 pt -120.89 -20.63 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.656 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.493 ' HA3' ' HB2' ' A' ' 13' ' ' ASN . . . 174.17 -137.27 3.9 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.632 -1.271 . . . . 0.0 113.597 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -146.37 143.73 29.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.153 0.501 . . . . 0.0 110.764 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.2 m -85.43 34.32 0.58 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.258 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.654 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.4 t -120.4 136.18 58.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 0.0 111.263 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -67.72 132.77 48.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.19 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.2 3.32 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.599 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -61.23 143.02 56.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.286 . . . . 0.0 111.012 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -80.03 43.43 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.825 0.822 . . . . 0.0 110.054 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 5.0 p30 -178.61 44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.728 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 16' ' ' SER . 16.8 t80 -61.31 130.53 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.777 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.87 73.22 1.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.627 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 32.3 t -61.22 -50.1 74.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.325 0.583 . . . . 0.0 109.583 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.601 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m120 -87.82 54.38 3.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.6 t -43.2 -52.4 5.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.302 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 40.2 ttm180 -59.05 -48.46 81.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.605 0.24 . . . . 0.0 111.55 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -63.61 -44.43 93.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.736 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 5.1 mm-40 -61.42 -44.19 97.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.087 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' HD11 ' A' ' 4' ' ' ILE . 81.1 m -66.2 -37.99 86.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.88 -28.52 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 110.562 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.736 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 76.5 mtp180 -59.55 -46.36 89.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.35 -50.13 55.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.54 32.92 0.11 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.425 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 98.9 m-85 -96.82 153.8 17.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.535 0.207 . . . . 0.0 110.482 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.97 -37.45 69.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.54 -149.34 6.52 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.136 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 19' ' ' ARG . . . -172.62 152.39 16.44 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -164.08 143.42 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.064 0.432 . . . . 0.0 110.898 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.39 124.46 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -151.48 -143.92 3.81 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.822 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 15.9 t 61.77 -138.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 38' ' ' VAL . 38.7 t80 -59.65 116.92 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.33 0.252 . . . . 0.0 111.144 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.81 26.81 1.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.528 0.731 . . . . 0.0 112.598 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 6.5 m120 53.31 38.51 27.94 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.927 0.491 . . . . 0.0 112.037 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.654 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 m -101.75 -36.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.863 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.684 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 2.6 m120 -63.62 129.87 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.469 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.2 t -86.23 113.19 22.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 110.601 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -114.7 122.02 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.727 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 55.7 m -72.05 129.4 38.43 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.21 114.91 5.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.735 -177.499 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 58.1 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.611 0.244 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 41' ' ' TRP . 11.0 mmmm -115.52 128.22 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 17.6 tp -85.0 85.53 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 42' ' ' CYS . 43.7 pt -77.08 -9.32 12.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.29 -145.42 10.71 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.721 -1.228 . . . . 0.0 113.44 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -114.62 156.62 24.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 45.9 t -122.6 34.53 5.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.474 0.654 . . . . 0.0 109.721 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 38' ' ' VAL . 51.8 t -134.83 136.39 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -59.59 134.71 57.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 48.13 8.5 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.33 157.13 44.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.542 0.21 . . . . 0.0 110.448 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.8 136.3 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 62.34 37.69 13.64 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.47 138.84 55.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -146.43 124.3 11.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -79.4 -46.41 17.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.762 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.3 m120 -87.6 59.94 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.145 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.1 t -47.02 -52.24 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.688 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 36.8 ttm180 -65.22 -46.54 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -58.42 -43.76 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 63.3 mm-40 -59.36 -44.8 92.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.667 0.27 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 32.4 m -62.85 -42.73 99.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.17 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -61.13 -42.86 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.956 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -61.53 -42.78 99.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.909 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 2.5 mtp-105 -68.95 -49.05 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.83 46.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.606 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 74.8 m-85 -123.39 154.45 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.03 -40.34 93.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.21 -156.41 8.27 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.408 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.531 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.01 152.83 15.6 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -161.32 141.99 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.557 0.678 . . . . 0.0 111.676 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.3 m -85.07 133.19 34.24 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -168.01 -137.76 2.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.531 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.56 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 20.8 t 66.51 -153.4 0.23 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 38' ' ' VAL . 36.3 t80 -62.76 121.54 13.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.261 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.06 24.73 2.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.505 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.6 m-80 54.49 30.31 12.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.697 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.47 ' HA ' HG23 ' A' ' 8' ' ' VAL . 14.7 m -87.8 -24.39 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 79.1 m-20 -96.26 135.82 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -98.12 126.79 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 53.2 m95 -125.33 127.86 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.577 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 4' ' ' ILE . 61.2 m -77.6 134.99 38.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.252 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -79.34 75.27 5.93 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.301 -178.501 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -123.01 115.79 22.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 39' ' ' ASN . 22.2 tp -80.71 119.97 24.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.339 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.641 HG22 ' SG ' ' A' ' 42' ' ' CYS . 34.5 pt -105.11 -21.66 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.46 -142.89 7.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.437 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -134.07 137.87 44.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.655 0.264 . . . . 0.0 110.846 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' THR . 26.6 p -77.28 -11.77 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 38' ' ' VAL . 80.0 t -83.21 133.45 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.589 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -67.47 141.87 56.82 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 49.67 14.91 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.691 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -130.56 26.25 5.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.455 0.169 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER 56.16 17.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.552 1.141 . . . . 0.0 112.72 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -176.45 49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 0.0 109.554 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -68.52 135.93 52.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.944 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 6.0 t -145.3 113.02 6.33 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.218 178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 p -75.97 -52.85 9.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.751 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.7 m120 -87.48 55.81 3.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.193 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -46.22 -50.52 15.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.912 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -63.4 -48.91 75.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.667 0.27 . . . . 0.0 111.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.751 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -62.81 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.889 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 52.7 mm-40 -59.43 -48.8 80.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.09 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.536 ' SG ' HD12 ' A' ' 4' ' ' ILE . 71.7 m -60.8 -48.13 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 52.6 mtpt -56.72 -40.57 75.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.427 0.632 . . . . 0.0 110.13 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -64.78 -39.33 93.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.287 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.3 mtt180 -83.15 22.41 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.88 44.29 10.3 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.919 -0.657 . . . . 0.0 114.486 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 89.4 m-85 -126.18 155.19 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.402 -0.47 . . . . 0.0 110.102 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.38 -42.77 96.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.205 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.07 -152.69 7.52 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.326 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.92 149.29 14.1 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.431 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -157.36 131.67 8.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.938 0.399 . . . . 0.0 110.357 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 6.0 t -85.51 43.78 1.05 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.247 0.546 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.37 116.0 6.77 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.823 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 p -176.44 176.08 1.68 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.11 114.62 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 21.68 12.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.015 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 50.33 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.698 0.799 . . . . 0.0 112.728 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HA ' HG22 ' A' ' 8' ' ' VAL . 2.1 p -142.14 -45.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.141 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB3' HD13 ' A' ' 3' ' ' LEU . 78.9 m-20 -79.87 126.56 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.291 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 6.5 t -95.55 111.02 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.579 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.82 124.83 51.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.077 0.465 . . . . 0.0 110.771 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 4' ' ' ILE . 40.7 m -79.29 135.37 36.73 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.85 112.86 8.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.854 0.359 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.499 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 44' ' ' THR . 21.8 tptp -151.4 118.63 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.4 tm? -85.53 121.32 28.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.634 HG21 ' SG ' ' A' ' 42' ' ' CYS . 43.0 pt -110.5 -23.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.73 -147.11 10.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.99 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -131.71 135.44 46.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.846 0.355 . . . . 0.0 110.794 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -84.32 30.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.396 0.617 . . . . 0.0 110.446 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.562 HG22 ' HB ' ' A' ' 38' ' ' VAL . 99.7 t -119.3 128.83 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.359 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.91 130.63 44.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.949 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.59 -30.97 9.14 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.659 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 152.07 40.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.563 0.221 . . . . 0.0 110.687 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.63 142.89 15.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.495 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 58.51 55.6 4.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.311 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.88 124.82 16.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.67 0.748 . . . . 0.0 111.536 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.575 ' CG2' ' HG3' ' A' ' 21' ' ' GLU . 4.1 m -103.17 105.74 16.11 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.552 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -56.81 -46.85 81.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 110.795 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.657 HD21 ' HB1' ' A' ' 20' ' ' ALA . 52.5 t30 -154.93 95.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HA ' HG23 ' A' ' 15' ' ' THR . 14.0 t -35.07 -58.14 0.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.394 1.059 . . . . 0.0 113.506 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 80.9 ttt180 -56.47 -47.17 79.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.657 ' HB1' HD21 ' A' ' 17' ' ' ASN . . . -66.23 -47.47 73.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' CG2' ' A' ' 15' ' ' THR . 19.5 mm-40 -55.95 -50.37 70.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.901 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 4' ' ' ILE . 60.5 m -62.78 -40.28 96.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.545 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 7.6 mtmp? -65.48 -39.73 92.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -62.13 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.173 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 76.3 mtp85 -65.41 -56.56 11.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 43.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.777 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' HE2' ' HE ' ' A' ' 25' ' ' ARG . 97.3 m-85 -116.82 161.3 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 110.49 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -55.24 -44.29 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.66 0.6 . . . . 0.0 110.176 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.45 -153.31 8.16 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.64 143.89 6.61 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.327 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -144.99 133.6 22.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 110.261 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 5.5 t -87.92 129.12 35.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -161.84 -135.21 1.78 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.506 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 67.32 -143.12 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 38' ' ' VAL . 29.5 t80 -62.55 116.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.65 24.07 2.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.424 0.69 . . . . 0.0 112.348 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 77.8 m-20 53.39 43.87 30.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' HG22 ' A' ' 8' ' ' VAL . 16.5 m -100.21 -33.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.82 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.467 ' N ' HG21 ' A' ' 38' ' ' VAL . 19.0 m-20 -84.38 129.24 34.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 112.145 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -92.52 121.29 33.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.678 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -117.87 120.38 37.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.634 ' SG ' HG21 ' A' ' 4' ' ' ILE . 32.4 m -77.63 138.22 38.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.197 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.03 112.88 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.764 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.481 HG21 ' HB2' ' A' ' 2' ' ' LYS . 13.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.617 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 69.9 m-20 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.683 0.278 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -110.34 125.37 53.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.217 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.442 HD22 ' O ' ' A' ' 40' ' ' CYS . 3.2 tm? -88.12 121.93 31.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.495 HD13 ' SG ' ' A' ' 22' ' ' CYS . 43.8 pt -115.09 -19.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.422 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.61 -148.89 8.96 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.975 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 11.9 m -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 111.051 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.45 42.86 1.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.481 0.658 . . . . 0.0 110.087 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 8' ' ' VAL . 14.9 p -129.35 131.66 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.097 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -68.77 119.43 13.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.248 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.9 -43.09 1.31 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.853 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -63.72 146.68 53.38 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 122.232 0.213 . . . . 0.0 110.957 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.79 33.19 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.981 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 11' ' ' ALA . 15.1 p30 -162.66 41.26 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.508 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 6' ' ' SER . 35.8 t80 -71.01 126.73 30.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.984 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 p -91.09 129.25 37.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.186 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -38.98 83.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.582 0.706 . . . . 0.0 109.605 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -156.56 105.8 2.27 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.78 -54.35 15.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -63.99 -46.81 82.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -61.81 -51.91 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -56.98 -46.82 81.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.593 0.235 . . . . 0.0 111.558 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.495 ' SG ' HD13 ' A' ' 4' ' ' ILE . 73.6 m -62.55 -43.25 99.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.737 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.59 -42.03 87.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 110.443 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.5 mtp180 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.21 29.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.574 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.93 42.75 92.6 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 114.767 0.667 . . . . 0.0 114.767 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 76.8 m-85 -117.66 156.74 27.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.369 0.585 . . . . 0.0 109.982 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -60.66 -37.08 80.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.316 0.579 . . . . 0.0 110.568 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . 179.2 -146.37 7.14 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.97 143.7 6.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.504 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -132.9 138.39 46.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.11 0.481 . . . . 0.0 111.197 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 49.7 t -93.48 129.28 39.72 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -164.21 -132.21 1.32 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.181 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 34.9 t 69.96 -141.01 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.7 t80 -81.33 99.29 8.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.637 0.256 . . . . 0.0 110.885 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.65 58.5 3.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.906 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.609 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 17.0 p30 40.95 52.78 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.257 1.023 . . . . 0.0 112.89 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 HG12 ' N ' ' A' ' 39' ' ' ASN . 11.5 p -97.41 -43.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.637 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.582 ' N ' HG12 ' A' ' 38' ' ' VAL . 60.7 m-80 -94.57 138.1 32.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' O ' HD22 ' A' ' 3' ' ' LEU . 2.8 t -104.86 118.38 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.898 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.536 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 69.6 m95 -114.87 122.48 46.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 111.7 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.486 ' SG ' HG23 ' A' ' 4' ' ' ILE . 27.1 m -75.07 138.58 42.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.929 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 72.3 mm-40 -66.42 118.6 10.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.501 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.847 179.588 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 60.9 m-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -146.77 128.34 15.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.462 0.172 . . . . 0.0 111.105 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.5 tp -88.66 122.57 32.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.539 HD12 ' SG ' ' A' ' 22' ' ' CYS . 46.1 pt -112.32 -15.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.224 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.99 -143.75 7.21 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.321 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -149.4 137.27 20.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.036 0.446 . . . . 0.0 110.253 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 m -84.08 43.64 0.95 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.886 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.514 HG12 ' HB1' ' A' ' 11' ' ' ALA . 12.3 p -128.52 131.45 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -68.53 135.81 52.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.794 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.88 -32.06 7.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.218 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' HB1' HG12 ' A' ' 8' ' ' VAL . . . -67.07 141.36 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.403 . . . . 0.0 110.922 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.75 37.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 122.175 0.988 . . . . 0.0 110.522 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -172.61 44.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.424 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -73.17 138.72 45.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.574 ' HG1' ' HG3' ' A' ' 21' ' ' GLU . 4.3 t -122.7 134.26 54.47 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.415 178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -75.31 -26.07 58.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -158.79 104.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -55.48 -51.43 67.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.889 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -58.82 -51.27 70.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.83 -46.34 84.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.0 111.734 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' HG1' ' A' ' 15' ' ' THR . 64.9 mm-40 -60.69 -47.06 87.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.411 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 4' ' ' ILE . 81.3 m -65.97 -41.66 90.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.38 -42.18 95.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.2 mtm180 -65.88 -42.52 90.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.52 HH11 ' HG3' ' A' ' 25' ' ' ARG . 54.6 mtt85 -59.98 -50.52 73.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.73 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.91 41.6 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.231 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 84.6 m-85 -125.97 152.02 46.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.723 0.296 . . . . 0.0 110.704 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -57.52 -36.91 72.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.543 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.67 -158.13 12.28 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.87 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -171.3 147.44 10.3 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -153.75 142.32 20.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.196 0.498 . . . . 0.0 111.532 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -86.76 132.94 33.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -171.53 -142.45 3.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.601 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 45.6 m 59.58 -141.29 0.63 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.526 0.33 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.22 127.32 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.98 10.57 2.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.217 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 9.7 t-20 49.72 47.66 22.61 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.504 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.43 -32.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.665 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 33.6 m-80 -53.53 123.99 13.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 111.448 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.55 108.28 18.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.742 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -114.0 118.98 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.085 0.469 . . . . 0.0 110.545 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.556 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 25.5 m -72.1 135.04 46.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.299 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.65 120.59 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 1' ' ' ASP . 32.2 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.606 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 34.1 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -136.08 128.68 30.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.007 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' O ' ' A' ' 40' ' ' CYS . 23.3 tp -92.32 118.07 30.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.415 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.627 HG23 ' SG ' ' A' ' 42' ' ' CYS . 42.3 pt -96.68 -22.93 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.801 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.07 -153.37 14.48 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.865 -1.16 . . . . 0.0 113.027 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 6.1 m -132.7 139.04 47.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 111.179 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 22.5 m -88.02 39.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' HA ' ' A' ' 38' ' ' VAL . 67.0 t -136.31 129.7 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -67.69 130.96 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.747 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.32 -45.64 1.11 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -70.66 138.73 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.393 -0.404 . . . . 0.0 110.22 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.57 41.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.467 0.651 . . . . 0.0 111.092 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 11' ' ' ALA . 17.2 p30 -163.34 35.78 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.127 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' SER . 49.6 t80 -64.18 125.81 25.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.201 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -95.78 123.67 39.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -70.8 -53.31 15.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 0.0 110.693 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.5 m120 -131.89 75.88 1.67 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.8 t -28.63 -61.49 0.12 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -62.14 -47.7 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.04 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.829 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 38.9 mm-40 -59.58 -50.17 74.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.452 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.576 ' SG ' HD13 ' A' ' 4' ' ' ILE . 54.6 m -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 47.6 mtpt -59.86 -40.89 90.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.9 -45.62 93.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 92.8 mtt180 -70.27 -54.02 14.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.445 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.68 44.44 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.028 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.545 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 83.2 m-85 -130.48 156.78 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.62 -40.93 96.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.193 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.15 8.31 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.782 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.06 155.44 20.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -151.59 138.12 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 0.0 111.919 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -88.15 125.63 34.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.0 -133.28 1.54 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 119.57 -1.3 . . . . 0.0 113.255 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' CB ' HD21 ' A' ' 39' ' ' ASN . 25.7 m 70.45 -141.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.243 0.617 . . . . 0.0 109.613 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -61.69 102.27 0.25 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 68.19 -69.3 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.186 0.929 . . . . 0.0 110.738 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 176.79 112.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.621 ' HA ' HG22 ' A' ' 8' ' ' VAL . 2.3 p -164.05 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.439 HD21 ' CB ' ' A' ' 34' ' ' SER . 79.9 m-20 -72.9 132.78 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.978 0.418 . . . . 0.0 111.989 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 6.0 t -104.34 103.21 12.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.886 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -99.26 127.55 45.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.937 0.399 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.627 ' SG ' HG23 ' A' ' 4' ' ' ILE . 55.5 m -86.11 132.12 34.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.637 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.04 104.53 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.806 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 1' ' ' ASP . 12.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.658 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.566 ' H3 ' HG21 ' A' ' 44' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.58 0.229 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.447 ' HG3' ' HE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -125.23 132.72 52.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.873 0.368 . . . . 0.0 110.341 179.276 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 40' ' ' CYS . 51.6 tp -83.92 124.38 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.873 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.508 HD13 ' SG ' ' A' ' 22' ' ' CYS . 42.7 pt -106.23 -20.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.284 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.68 159.18 24.15 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.302 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 9.2 t -77.25 129.05 35.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -86.16 51.56 2.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.587 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.699 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 10.8 p -137.2 137.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.264 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -65.85 120.98 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.238 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.95 -40.82 1.62 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.525 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -65.82 139.31 58.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.52 0.2 . . . . 0.0 110.788 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -78.47 36.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.303 0.573 . . . . 0.0 111.381 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 11' ' ' ALA . 10.1 p30 -163.26 34.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.071 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 6' ' ' SER . 9.4 t80 -78.79 118.45 20.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.822 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -110.24 84.81 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.974 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -54.22 -48.85 70.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.701 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 7.6 m120 -94.58 59.42 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.369 178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.2 t -45.56 -52.1 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.282 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 13.2 tpt180 -57.04 -49.93 74.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.508 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -67.97 -46.12 72.25 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 21' ' ' GLU . 4.8 mm-40 -60.07 -46.9 88.01 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.508 ' SG ' HD13 ' A' ' 4' ' ' ILE . 89.9 m -61.08 -45.52 94.39 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.189 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 48.1 mtmt -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.7 tmm_? -63.95 -41.77 97.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.809 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.7 mtt180 -68.76 -55.63 10.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.88 44.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.397 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 71.0 m-85 -126.48 156.04 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.94 -48.59 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.48 -151.78 5.7 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.107 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . 177.63 151.16 9.0 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -163.03 141.98 8.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.73 123.19 30.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.601 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' HA2' ' OD1' ' A' ' 37' ' ' ASN . . . -161.25 -139.71 2.71 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.177 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.599 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 16.8 t 66.17 -149.6 0.21 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.647 0.379 . . . . 0.0 110.095 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.532 ' O ' HG21 ' A' ' 38' ' ' VAL . 31.4 t80 -56.18 117.8 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.351 0.261 . . . . 0.0 111.359 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.46 22.37 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.382 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' OD1' ' HA2' ' A' ' 33' ' ' GLY . 71.9 m-20 54.53 25.45 6.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.848 0.459 . . . . 0.0 111.93 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.699 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.1 m -102.58 34.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.165 0.507 . . . . 0.0 111.242 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.599 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 50.1 m-80 -140.11 129.85 24.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.415 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 3' ' ' LEU . 3.0 t -91.42 112.19 23.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -112.45 120.91 43.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.595 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 27.7 m -74.25 125.68 28.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.53 115.85 4.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.178 0.513 . . . . 0.0 109.768 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.566 HG21 ' H3 ' ' A' ' 1' ' ' ASP . 14.8 t . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.251 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -113.75 122.46 47.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 39' ' ' ASN . 32.5 tp -82.27 129.38 34.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.664 HG22 ' SG ' ' A' ' 42' ' ' CYS . 40.6 pt -117.43 -18.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.302 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.94 -150.37 9.85 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.058 -1.068 . . . . 0.0 113.03 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -113.47 160.51 18.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.221 0.534 . . . . 0.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.14 37.31 4.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.62 0.724 . . . . 0.0 109.824 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.9 p -140.89 141.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.678 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -68.67 132.4 46.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.13 -46.1 1.14 Allowed Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.6 140.48 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.2 35.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.447 0.641 . . . . 0.0 110.925 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 11' ' ' ALA . 73.2 m-80 -153.33 26.24 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.459 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -79.34 136.86 37.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 15' ' ' THR . 9.0 t -148.27 128.62 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 p -72.82 -45.53 57.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.366 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.871 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 7.2 m120 -81.36 59.85 4.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -57.51 -53.28 59.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.3 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 67.8 ttt180 -63.26 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . . . -60.59 -41.83 95.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.59 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -58.28 -48.63 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.233 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' A' ' 4' ' ' ILE . 55.5 m -63.24 -40.2 96.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.626 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 99.0 mttt -64.88 -40.15 94.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 21' ' ' GLU . 4.7 tmm_? -62.02 -42.26 98.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.677 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 89.0 mtt180 -74.41 -45.87 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.88 57.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.308 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -134.99 160.17 39.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.981 0.39 . . . . 0.0 110.645 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.75 -39.32 73.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.34 -152.78 8.78 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.806 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -168.52 144.06 8.54 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -154.65 147.21 24.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.255 0.55 . . . . 0.0 111.362 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.8 m -84.58 121.74 28.05 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.524 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.47 -142.15 3.5 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.879 -1.153 . . . . 0.0 113.325 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 80.6 p 56.52 -139.47 0.92 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.542 0.737 . . . . 0.0 110.279 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.574 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.2 t80 -61.39 113.55 2.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 47.35 27.74 0.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.1 m-80 55.56 27.52 10.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.685 0.394 . . . . 0.0 111.883 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 35' ' ' PHE . 17.6 m -90.43 9.8 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.464 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 79.2 m-20 -129.27 138.63 51.75 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 t -90.86 115.0 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.483 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -115.35 122.75 46.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.664 ' SG ' HG22 ' A' ' 4' ' ' ILE . 55.7 m -75.11 134.31 41.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.343 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.95 114.51 4.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.464 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 61.2 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.829 0.347 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.729 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -157.44 101.45 1.86 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 15.7 tp -70.92 125.18 26.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.477 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.617 HG21 ' SG ' ' A' ' 42' ' ' CYS . 33.8 pt -120.76 -14.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.02 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.47 -152.36 10.97 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.516 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.7 m -138.14 135.66 35.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 0.0 110.736 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.9 m -84.25 44.33 1.01 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.126 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.5 p -139.25 135.99 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -66.98 133.9 50.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.62 -41.21 2.12 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.149 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.62 141.43 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.06 31.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.472 0.653 . . . . 0.0 111.438 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.514 ' H ' ' C ' ' A' ' 11' ' ' ALA . 5.9 p30 -165.52 42.97 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.818 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 6' ' ' SER . 22.6 t80 -64.62 131.41 46.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.427 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.472 HG21 ' HG3' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -122.79 122.9 39.81 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.952 178.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 p -75.1 -43.3 53.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.396 0.617 . . . . 0.0 109.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -133.25 82.59 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 37.1 t -44.32 -50.61 8.97 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.128 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.12 -50.53 73.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.433 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.695 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HG3' HG21 ' A' ' 15' ' ' THR . 71.2 mm-40 -60.68 -48.46 81.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 68.7 m -63.11 -44.72 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.836 0.35 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.17 -37.33 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.399 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -62.29 -44.42 96.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.166 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -68.34 -54.04 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.17 44.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.549 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.495 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 86.3 m-85 -120.36 159.12 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.93 -43.76 86.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -168.98 -150.31 6.64 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.16 155.12 18.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.017 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -160.76 139.89 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.0 m -90.03 125.91 35.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -159.07 -146.3 4.51 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.225 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.707 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 34.7 t 64.87 -143.81 0.24 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.5 t80 -58.95 119.13 6.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.685 0.279 . . . . 0.0 111.522 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.2 17.44 2.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.286 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 75.3 m-20 56.0 32.11 19.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.461 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.2 m -97.2 -30.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.433 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.707 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 58.1 m-20 -64.95 125.44 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 111.431 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.9 t -93.65 115.47 27.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.602 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 1' ' ' ASP . 44.9 m95 -115.32 119.51 36.55 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' HG21 ' A' ' 4' ' ' ILE . 37.3 m -76.04 138.64 40.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 33.1 mm-40 -69.16 118.66 12.34 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 HG22 ' HB2' ' A' ' 2' ' ' LYS . 34.8 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.862 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -104.65 119.3 38.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.428 ' C ' HD11 ' A' ' 3' ' ' LEU . 3.1 tm? -83.13 124.88 30.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.487 HD11 ' SG ' ' A' ' 22' ' ' CYS . 43.7 pt -120.89 -20.63 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.656 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.493 ' HA3' ' HB2' ' A' ' 13' ' ' ASN . . . 174.17 -137.27 3.9 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.632 -1.271 . . . . 0.0 113.597 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -146.37 143.73 29.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.153 0.501 . . . . 0.0 110.764 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.2 m -85.43 34.32 0.58 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.258 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.654 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.4 t -120.4 136.18 58.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 0.0 111.263 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -67.72 132.77 48.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.19 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.2 3.32 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.599 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -61.23 143.02 56.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.286 . . . . 0.0 111.012 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -80.03 43.43 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.825 0.822 . . . . 0.0 110.054 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 5.0 p30 -178.61 44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.728 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 16' ' ' SER . 16.8 t80 -61.31 130.53 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.777 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -147.87 73.22 1.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.627 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 32.3 t -61.22 -50.1 74.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.325 0.583 . . . . 0.0 109.583 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.601 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m120 -87.82 54.38 3.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.6 t -43.2 -52.4 5.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.302 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 40.2 ttm180 -59.05 -48.46 81.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.605 0.24 . . . . 0.0 111.55 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -63.61 -44.43 93.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.736 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 5.1 mm-40 -61.42 -44.19 97.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.087 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.487 ' SG ' HD11 ' A' ' 4' ' ' ILE . 81.1 m -66.2 -37.99 86.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.88 -28.52 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 110.562 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.736 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 76.5 mtp180 -59.55 -46.36 89.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.35 -50.13 55.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.54 32.92 0.11 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.425 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 98.9 m-85 -96.82 153.8 17.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.535 0.207 . . . . 0.0 110.482 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.97 -37.45 69.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.54 -149.34 6.52 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.136 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 19' ' ' ARG . . . -172.62 152.39 16.44 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -164.08 143.42 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.064 0.432 . . . . 0.0 110.898 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.39 124.46 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -151.48 -143.92 3.81 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.822 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.684 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 15.9 t 61.77 -138.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.492 ' O ' HG22 ' A' ' 38' ' ' VAL . 38.7 t80 -59.65 116.92 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.33 0.252 . . . . 0.0 111.144 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.81 26.81 1.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.528 0.731 . . . . 0.0 112.598 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 6.5 m120 53.31 38.51 27.94 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.927 0.491 . . . . 0.0 112.037 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.654 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 m -101.75 -36.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.863 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.684 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 2.6 m120 -63.62 129.87 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.469 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.2 t -86.23 113.19 22.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 110.601 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -114.7 122.02 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.727 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 55.7 m -72.05 129.4 38.43 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.21 114.91 5.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.735 -177.499 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.594 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 58.1 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.611 0.244 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 41' ' ' TRP . 11.0 mmmm -115.52 128.22 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 17.6 tp -85.0 85.53 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 42' ' ' CYS . 43.7 pt -77.08 -9.32 12.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.29 -145.42 10.71 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.721 -1.228 . . . . 0.0 113.44 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -114.62 156.62 24.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 45.9 t -122.6 34.53 5.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.474 0.654 . . . . 0.0 109.721 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 38' ' ' VAL . 51.8 t -134.83 136.39 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -59.59 134.71 57.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 48.13 8.5 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.33 157.13 44.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.542 0.21 . . . . 0.0 110.448 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.8 136.3 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 62.34 37.69 13.64 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.47 138.84 55.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -146.43 124.3 11.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -79.4 -46.41 17.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.762 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 6.3 m120 -87.6 59.94 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.145 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.1 t -47.02 -52.24 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.688 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 36.8 ttm180 -65.22 -46.54 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.762 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -58.42 -43.76 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 63.3 mm-40 -59.36 -44.8 92.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.667 0.27 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 32.4 m -62.85 -42.73 99.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.17 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -61.13 -42.86 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.956 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -61.53 -42.78 99.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.909 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 2.5 mtp-105 -68.95 -49.05 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.83 46.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.606 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 74.8 m-85 -123.39 154.45 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.03 -40.34 93.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.21 -156.41 8.27 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.408 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.531 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.01 152.83 15.6 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -161.32 141.99 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.557 0.678 . . . . 0.0 111.676 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.3 m -85.07 133.19 34.24 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -168.01 -137.76 2.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.531 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.56 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 20.8 t 66.51 -153.4 0.23 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 38' ' ' VAL . 36.3 t80 -62.76 121.54 13.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.261 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.06 24.73 2.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.505 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.6 m-80 54.49 30.31 12.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.697 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' HA ' HG23 ' A' ' 8' ' ' VAL . 14.7 m -87.8 -24.39 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 79.1 m-20 -96.26 135.82 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.51 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -98.12 126.79 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.482 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 53.2 m95 -125.33 127.86 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.577 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 4' ' ' ILE . 61.2 m -77.6 134.99 38.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.252 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -79.34 75.27 5.93 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.301 -178.501 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -123.01 115.79 22.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 39' ' ' ASN . 22.2 tp -80.71 119.97 24.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.339 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.641 HG22 ' SG ' ' A' ' 42' ' ' CYS . 34.5 pt -105.11 -21.66 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.46 -142.89 7.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.437 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -134.07 137.87 44.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.655 0.264 . . . . 0.0 110.846 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 15' ' ' THR . 26.6 p -77.28 -11.77 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 38' ' ' VAL . 80.0 t -83.21 133.45 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.589 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -67.47 141.87 56.82 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 49.67 14.91 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.691 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -130.56 26.25 5.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.455 0.169 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER 56.16 17.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.552 1.141 . . . . 0.0 112.72 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -176.45 49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 0.0 109.554 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -68.52 135.93 52.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.944 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 6.0 t -145.3 113.02 6.33 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.218 178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 p -75.97 -52.85 9.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.751 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.7 m120 -87.48 55.81 3.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.193 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -46.22 -50.52 15.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.912 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -63.4 -48.91 75.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.667 0.27 . . . . 0.0 111.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.751 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -62.81 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.889 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 52.7 mm-40 -59.43 -48.8 80.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.09 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.536 ' SG ' HD12 ' A' ' 4' ' ' ILE . 71.7 m -60.8 -48.13 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 52.6 mtpt -56.72 -40.57 75.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.427 0.632 . . . . 0.0 110.13 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -64.78 -39.33 93.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.287 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.3 mtt180 -83.15 22.41 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.88 44.29 10.3 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.919 -0.657 . . . . 0.0 114.486 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 89.4 m-85 -126.18 155.19 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.402 -0.47 . . . . 0.0 110.102 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.38 -42.77 96.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.205 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.07 -152.69 7.52 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.326 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.92 149.29 14.1 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.431 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -157.36 131.67 8.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.938 0.399 . . . . 0.0 110.357 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 6.0 t -85.51 43.78 1.05 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.247 0.546 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.37 116.0 6.77 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.823 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 p -176.44 176.08 1.68 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.11 114.62 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 21.68 12.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.015 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 50.33 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.698 0.799 . . . . 0.0 112.728 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HA ' HG22 ' A' ' 8' ' ' VAL . 2.1 p -142.14 -45.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.141 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB3' HD13 ' A' ' 3' ' ' LEU . 78.9 m-20 -79.87 126.56 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.291 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 6.5 t -95.55 111.02 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.579 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.82 124.83 51.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.077 0.465 . . . . 0.0 110.771 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.641 ' SG ' HG22 ' A' ' 4' ' ' ILE . 40.7 m -79.29 135.37 36.73 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.85 112.86 8.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.854 0.359 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.499 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 44' ' ' THR . 21.8 tptp -151.4 118.63 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.4 tm? -85.53 121.32 28.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.634 HG21 ' SG ' ' A' ' 42' ' ' CYS . 43.0 pt -110.5 -23.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.057 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.73 -147.11 10.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.99 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -131.71 135.44 46.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.846 0.355 . . . . 0.0 110.794 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -84.32 30.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.396 0.617 . . . . 0.0 110.446 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.562 HG22 ' HB ' ' A' ' 38' ' ' VAL . 99.7 t -119.3 128.83 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.359 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.91 130.63 44.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.949 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.59 -30.97 9.14 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.659 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 152.07 40.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.563 0.221 . . . . 0.0 110.687 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.63 142.89 15.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.495 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 58.51 55.6 4.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.311 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.88 124.82 16.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.67 0.748 . . . . 0.0 111.536 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.575 ' CG2' ' HG3' ' A' ' 21' ' ' GLU . 4.1 m -103.17 105.74 16.11 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.552 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -56.81 -46.85 81.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 110.795 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.657 HD21 ' HB1' ' A' ' 20' ' ' ALA . 52.5 t30 -154.93 95.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HA ' HG23 ' A' ' 15' ' ' THR . 14.0 t -35.07 -58.14 0.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.394 1.059 . . . . 0.0 113.506 -177.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 80.9 ttt180 -56.47 -47.17 79.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.657 ' HB1' HD21 ' A' ' 17' ' ' ASN . . . -66.23 -47.47 73.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.575 ' HG3' ' CG2' ' A' ' 15' ' ' THR . 19.5 mm-40 -55.95 -50.37 70.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.901 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 4' ' ' ILE . 60.5 m -62.78 -40.28 96.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.545 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 7.6 mtmp? -65.48 -39.73 92.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -62.13 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.173 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 76.3 mtp85 -65.41 -56.56 11.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 43.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.777 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' HE2' ' HE ' ' A' ' 25' ' ' ARG . 97.3 m-85 -116.82 161.3 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 110.49 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -55.24 -44.29 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.66 0.6 . . . . 0.0 110.176 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.45 -153.31 8.16 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.64 143.89 6.61 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.327 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -144.99 133.6 22.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 110.261 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 5.5 t -87.92 129.12 35.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -161.84 -135.21 1.78 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.506 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 67.32 -143.12 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 38' ' ' VAL . 29.5 t80 -62.55 116.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.65 24.07 2.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.424 0.69 . . . . 0.0 112.348 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 77.8 m-20 53.39 43.87 30.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.562 ' HB ' HG22 ' A' ' 8' ' ' VAL . 16.5 m -100.21 -33.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.82 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.467 ' N ' HG21 ' A' ' 38' ' ' VAL . 19.0 m-20 -84.38 129.24 34.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 112.145 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -92.52 121.29 33.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.678 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -117.87 120.38 37.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.634 ' SG ' HG21 ' A' ' 4' ' ' ILE . 32.4 m -77.63 138.22 38.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.197 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.03 112.88 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.764 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.481 HG21 ' HB2' ' A' ' 2' ' ' LYS . 13.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.617 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 69.9 m-20 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.683 0.278 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -110.34 125.37 53.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.217 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 40' ' ' CYS . 3.2 tm? -88.12 121.93 31.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 pt -115.09 -19.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.422 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.61 -148.89 8.96 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.975 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 11.9 m -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 111.051 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.45 42.86 1.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.481 0.658 . . . . 0.0 110.087 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.58 HG11 HG23 ' A' ' 38' ' ' VAL . 14.9 p -129.35 131.66 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.097 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -68.77 119.43 13.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.248 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.9 -43.09 1.31 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.853 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 146.68 53.38 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 122.232 0.213 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.79 33.19 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.981 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -162.66 41.26 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.508 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' SER . 35.8 t80 -71.01 126.73 30.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.984 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 p -91.09 129.25 37.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.186 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -38.98 83.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.582 0.706 . . . . 0.0 109.605 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.554 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 28.5 t-20 -156.56 105.8 2.27 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.78 -54.35 15.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -63.99 -46.81 82.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -61.81 -51.91 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -56.98 -46.82 81.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.593 0.235 . . . . 0.0 111.558 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 m -62.55 -43.25 99.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.737 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.59 -42.03 87.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 110.443 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.5 mtp180 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.21 29.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.574 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.93 42.75 92.6 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 114.767 0.667 . . . . 0.0 114.767 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 76.8 m-85 -117.66 156.74 27.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.369 0.585 . . . . 0.0 109.982 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -60.66 -37.08 80.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.316 0.579 . . . . 0.0 110.568 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . 179.2 -146.37 7.14 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.97 143.7 6.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.504 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -132.9 138.39 46.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.11 0.481 . . . . 0.0 111.197 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 49.7 t -93.48 129.28 39.72 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -164.21 -132.21 1.32 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.181 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 34.9 t 69.96 -141.01 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -81.33 99.29 8.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.637 0.256 . . . . 0.0 110.885 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.65 58.5 3.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.906 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.623 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER 40.95 52.78 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.257 1.023 . . . . 0.0 112.89 179.388 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.58 HG23 HG11 ' A' ' 8' ' ' VAL . 11.5 p -97.41 -43.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.637 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.447 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 60.7 m-80 -94.57 138.1 32.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HD22 ' A' ' 3' ' ' LEU . 2.8 t -104.86 118.38 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.898 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 69.6 m95 -114.87 122.48 46.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 111.7 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 27.1 m -75.07 138.58 42.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.929 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 72.3 mm-40 -66.42 118.6 10.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.501 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.847 179.588 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.515 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 60.9 m-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -146.77 128.34 15.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.462 0.172 . . . . 0.0 111.105 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.5 tp -88.66 122.57 32.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 pt -112.32 -15.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.224 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.99 -143.75 7.21 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.321 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 5.6 t -149.4 137.27 20.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.036 0.446 . . . . 0.0 110.253 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 m -84.08 43.64 0.95 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.886 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.52 131.45 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -68.53 135.81 52.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.794 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.88 -32.06 7.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.218 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -67.07 141.36 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.403 . . . . 0.0 110.922 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.75 37.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 122.175 0.988 . . . . 0.0 110.522 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 11' ' ' ALA . 33.4 p30 -172.61 44.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.424 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' SER . 59.8 t80 -73.17 138.72 45.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.3 t -122.7 134.26 54.47 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.415 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -75.31 -26.07 58.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -158.79 104.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -55.48 -51.43 67.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.889 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -58.82 -51.27 70.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.83 -46.34 84.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.0 111.734 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -60.69 -47.06 87.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.411 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.3 m -65.97 -41.66 90.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.38 -42.18 95.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.2 mtm180 -65.88 -42.52 90.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' A' ' 25' ' ' ARG . 54.6 mtt85 -59.98 -50.52 73.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.73 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.91 41.6 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.231 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 84.6 m-85 -125.97 152.02 46.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.723 0.296 . . . . 0.0 110.704 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -57.52 -36.91 72.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.543 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.67 -158.13 12.28 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.87 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -171.3 147.44 10.3 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -153.75 142.32 20.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.196 0.498 . . . . 0.0 111.532 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -86.76 132.94 33.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -171.53 -142.45 3.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.601 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 45.6 m 59.58 -141.29 0.63 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.526 0.33 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.22 127.32 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.98 10.57 2.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.217 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 0.4 OUTLIER 49.72 47.66 22.61 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.504 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.43 -32.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.665 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 33.6 m-80 -53.53 123.99 13.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 111.448 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' O ' HD12 ' A' ' 3' ' ' LEU . 9.0 t -87.55 108.28 18.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.742 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -114.0 118.98 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.085 0.469 . . . . 0.0 110.545 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 25.5 m -72.1 135.04 46.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.299 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.65 120.59 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.515 ' HB ' ' HA ' ' A' ' 1' ' ' ASP . 32.2 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.606 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 34.1 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 54.5 tptt -136.08 128.68 30.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 40' ' ' CYS . 23.3 tp -92.32 118.07 30.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.415 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 pt -96.68 -22.93 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.801 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.07 -153.37 14.48 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.865 -1.16 . . . . 0.0 113.027 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 6.1 m -132.7 139.04 47.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 111.179 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 22.5 m -88.02 39.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' HA ' ' A' ' 38' ' ' VAL . 67.0 t -136.31 129.7 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -67.69 130.96 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.747 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.32 -45.64 1.11 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -70.66 138.73 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.393 -0.404 . . . . 0.0 110.22 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.57 41.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.467 0.651 . . . . 0.0 111.092 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ALA . 17.2 p30 -163.34 35.78 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.127 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' SER . 49.6 t80 -64.18 125.81 25.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.201 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -95.78 123.67 39.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -70.8 -53.31 15.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 0.0 110.693 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.5 m120 -131.89 75.88 1.67 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.8 t -28.63 -61.49 0.12 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -62.14 -47.7 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.04 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.829 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 38.9 mm-40 -59.58 -50.17 74.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.452 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 54.6 m -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 47.6 mtpt -59.86 -40.89 90.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.9 -45.62 93.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 92.8 mtt180 -70.27 -54.02 14.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.445 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.68 44.44 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.028 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 83.2 m-85 -130.48 156.78 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.62 -40.93 96.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.193 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.15 8.31 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.782 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.06 155.44 20.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -151.59 138.12 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 0.0 111.919 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -88.15 125.63 34.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.0 -133.28 1.54 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 119.57 -1.3 . . . . 0.0 113.255 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 25.7 m 70.45 -141.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.243 0.617 . . . . 0.0 109.613 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -61.69 102.27 0.25 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 68.19 -69.3 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.186 0.929 . . . . 0.0 110.738 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 176.79 112.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.617 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.3 p -164.05 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 31.4 m120 -72.9 132.78 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.978 0.418 . . . . 0.0 111.989 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 6.0 t -104.34 103.21 12.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.886 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -99.26 127.55 45.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.937 0.399 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 55.5 m -86.11 132.12 34.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.637 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.04 104.53 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.806 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 1' ' ' ASP . 12.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.658 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.58 0.229 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -125.23 132.72 52.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.873 0.368 . . . . 0.0 110.341 179.276 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 40' ' ' CYS . 51.6 tp -83.92 124.38 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.873 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.7 pt -106.23 -20.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.284 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.68 159.18 24.15 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.302 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 9.2 t -77.25 129.05 35.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -86.16 51.56 2.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.587 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 10.8 p -137.2 137.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.264 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -65.85 120.98 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.238 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.95 -40.82 1.62 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.525 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 139.31 58.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.52 0.2 . . . . 0.0 110.788 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -78.47 36.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.303 0.573 . . . . 0.0 111.381 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.26 34.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.071 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 6' ' ' SER . 9.4 t80 -78.79 118.45 20.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.822 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -110.24 84.81 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.974 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -54.22 -48.85 70.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.701 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -94.58 59.42 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.369 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.2 t -45.56 -52.1 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.282 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 13.2 tpt180 -57.04 -49.93 74.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.508 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.12 72.25 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 24' ' ' ARG . 4.8 mm-40 -60.07 -46.9 88.01 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 89.9 m -61.08 -45.52 94.39 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.189 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 48.1 mtmt -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.7 tmm_? -63.95 -41.77 97.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.809 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.7 mtt180 -68.76 -55.63 10.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.88 44.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.397 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 71.0 m-85 -126.48 156.04 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.94 -48.59 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.48 -151.78 5.7 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.107 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . 177.63 151.16 9.0 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -163.03 141.98 8.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.73 123.19 30.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.601 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.485 ' HA2' ' OD1' ' A' ' 37' ' ' ASN . . . -161.25 -139.71 2.71 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.177 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 16.8 t 66.17 -149.6 0.21 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.647 0.379 . . . . 0.0 110.095 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.4 t80 -56.18 117.8 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.351 0.261 . . . . 0.0 111.359 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.46 22.37 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.382 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' OD1' ' HA2' ' A' ' 33' ' ' GLY . 71.9 m-20 54.53 25.45 6.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.848 0.459 . . . . 0.0 111.93 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.1 m -102.58 34.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.165 0.507 . . . . 0.0 111.242 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 50.1 m-80 -140.11 129.85 24.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.415 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 3' ' ' LEU . 3.0 t -91.42 112.19 23.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -112.45 120.91 43.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 27.7 m -74.25 125.68 28.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.53 115.85 4.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.178 0.513 . . . . 0.0 109.768 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.251 -178.261 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -113.75 122.46 47.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -82.27 129.38 34.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 pt -117.43 -18.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.302 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.94 -150.37 9.85 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.058 -1.068 . . . . 0.0 113.03 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -113.47 160.51 18.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.221 0.534 . . . . 0.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.14 37.31 4.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.62 0.724 . . . . 0.0 109.824 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.89 141.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.678 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -68.67 132.4 46.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.13 -46.1 1.14 Allowed Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 140.48 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.2 35.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.447 0.641 . . . . 0.0 110.925 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -153.33 26.24 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.459 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -79.34 136.86 37.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 128.62 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 p -72.82 -45.53 57.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.366 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.873 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 7.2 m120 -81.36 59.85 4.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -57.51 -53.28 59.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.3 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 67.8 ttt180 -63.26 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.59 -41.83 95.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.59 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -58.28 -48.63 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.233 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 55.5 m -63.24 -40.2 96.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 99.0 mttt -64.88 -40.15 94.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 21' ' ' GLU . 4.7 tmm_? -62.02 -42.26 98.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.677 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 89.0 mtt180 -74.41 -45.87 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.88 57.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.308 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 97.1 m-85 -134.99 160.17 39.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.981 0.39 . . . . 0.0 110.645 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.75 -39.32 73.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -172.34 -152.78 8.78 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.806 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -168.52 144.06 8.54 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -154.65 147.21 24.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.255 0.55 . . . . 0.0 111.362 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.8 m -84.58 121.74 28.05 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.47 -142.15 3.5 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.879 -1.153 . . . . 0.0 113.325 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 80.6 p 56.52 -139.47 0.92 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.542 0.737 . . . . 0.0 110.279 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.2 t80 -61.39 113.55 2.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 47.35 27.74 0.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.1 m-80 55.56 27.52 10.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.685 0.394 . . . . 0.0 111.883 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 35' ' ' PHE . 17.6 m -90.43 9.8 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 79.2 m-20 -129.27 138.63 51.75 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' O ' HD12 ' A' ' 3' ' ' LEU . 19.5 t -90.86 115.0 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -115.35 122.75 46.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.588 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 55.7 m -75.11 134.31 41.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.343 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 36.2 mm-40 -64.95 114.51 4.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.474 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 61.2 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.829 0.347 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -157.44 101.45 1.86 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 40' ' ' CYS . 15.7 tp -70.92 125.18 26.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.477 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.8 pt -120.76 -14.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.02 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.47 -152.36 10.97 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.516 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.7 m -138.14 135.66 35.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 0.0 110.736 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.9 m -84.25 44.33 1.01 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.126 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.25 135.99 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -66.98 133.9 50.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.62 -41.21 2.12 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.149 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.62 141.43 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.06 31.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.472 0.653 . . . . 0.0 111.438 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 11' ' ' ALA . 5.9 p30 -165.52 42.97 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.818 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' SER . 22.6 t80 -64.62 131.41 46.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.427 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.79 122.9 39.81 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.952 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 p -75.1 -43.3 53.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.396 0.617 . . . . 0.0 109.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -133.25 82.59 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 37.1 t -44.32 -50.61 8.97 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.128 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.12 -50.53 73.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.433 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.695 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.68 -48.46 81.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 68.7 m -63.11 -44.72 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.836 0.35 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.17 -37.33 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.399 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -62.29 -44.42 96.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.166 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -68.34 -54.04 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.17 44.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.549 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 86.3 m-85 -120.36 159.12 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.93 -43.76 86.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -168.98 -150.31 6.64 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.16 155.12 18.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.017 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -160.76 139.89 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.0 m -90.03 125.91 35.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -159.07 -146.3 4.51 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.225 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.731 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 34.7 t 64.87 -143.81 0.24 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.5 t80 -58.95 119.13 6.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.685 0.279 . . . . 0.0 111.522 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.2 17.44 2.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.286 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 75.3 m-20 56.0 32.11 19.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.461 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.2 m -97.2 -30.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.433 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.731 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 58.1 m-20 -64.95 125.44 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 111.431 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.9 t -93.65 115.47 27.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.602 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 1' ' ' ASP . 44.9 m95 -115.32 119.51 36.55 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 37.3 m -76.04 138.64 40.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 33.1 mm-40 -69.16 118.66 12.34 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.862 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -104.65 119.3 38.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -83.13 124.88 30.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.89 -20.63 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA3' ' HB2' ' A' ' 13' ' ' ASN . . . 174.17 -137.27 3.9 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.632 -1.271 . . . . 0.0 113.597 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -146.37 143.73 29.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.153 0.501 . . . . 0.0 110.764 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.2 m -85.43 34.32 0.58 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.258 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.652 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.4 t -120.4 136.18 58.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 0.0 111.263 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -67.72 132.77 48.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.19 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.2 3.32 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.599 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.23 143.02 56.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.286 . . . . 0.0 111.012 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -80.03 43.43 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.825 0.822 . . . . 0.0 110.054 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.509 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 5.0 p30 -178.61 44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.728 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 16' ' ' SER . 16.8 t80 -61.31 130.53 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.777 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.517 HG22 ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -147.87 73.22 1.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.627 -179.174 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 32.3 t -61.22 -50.1 74.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.325 0.583 . . . . 0.0 109.583 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.0 m120 -87.82 54.38 3.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.6 t -43.2 -52.4 5.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.302 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 40.2 ttm180 -59.05 -48.46 81.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.605 0.24 . . . . 0.0 111.55 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -63.61 -44.43 93.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.758 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 5.1 mm-40 -61.42 -44.19 97.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.087 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.1 m -66.2 -37.99 86.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.88 -28.52 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 110.562 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.758 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 76.5 mtp180 -59.55 -46.36 89.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.35 -50.13 55.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.54 32.92 0.11 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.425 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 98.9 m-85 -96.82 153.8 17.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.535 0.207 . . . . 0.0 110.482 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.97 -37.45 69.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.54 -149.34 6.52 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.136 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.62 152.39 16.44 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -164.08 143.42 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.064 0.432 . . . . 0.0 110.898 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.39 124.46 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 37' ' ' ASN . . . -151.48 -143.92 3.81 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.822 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.703 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 15.9 t 61.77 -138.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 38' ' ' VAL . 38.7 t80 -59.65 116.92 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.33 0.252 . . . . 0.0 111.144 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.81 26.81 1.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.528 0.731 . . . . 0.0 112.598 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 6.5 m120 53.31 38.51 27.94 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.927 0.491 . . . . 0.0 112.037 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.652 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 m -101.75 -36.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.863 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.703 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 2.6 m120 -63.62 129.87 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.469 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.2 t -86.23 113.19 22.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 110.601 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -114.7 122.02 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.727 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 55.7 m -72.05 129.4 38.43 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.21 114.91 5.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.735 -177.499 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.608 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 58.1 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.611 0.244 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TRP . 11.0 mmmm -115.52 128.22 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 17.6 tp -85.0 85.53 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.7 pt -77.08 -9.32 12.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.29 -145.42 10.71 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.721 -1.228 . . . . 0.0 113.44 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -114.62 156.62 24.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 45.9 t -122.6 34.53 5.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.474 0.654 . . . . 0.0 109.721 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 38' ' ' VAL . 51.8 t -134.83 136.39 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -59.59 134.71 57.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 48.13 8.5 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.33 157.13 44.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.542 0.21 . . . . 0.0 110.448 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.8 136.3 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 62.34 37.69 13.64 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.47 138.84 55.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -146.43 124.3 11.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -79.4 -46.41 17.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.3 m120 -87.6 59.94 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.145 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.1 t -47.02 -52.24 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.688 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.472 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 36.8 ttm180 -65.22 -46.54 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -58.42 -43.76 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 63.3 mm-40 -59.36 -44.8 92.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.667 0.27 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 32.4 m -62.85 -42.73 99.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.17 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -61.13 -42.86 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.956 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -61.53 -42.78 99.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.909 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 2.5 mtp-105 -68.95 -49.05 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.83 46.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.606 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 74.8 m-85 -123.39 154.45 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.03 -40.34 93.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.21 -156.41 8.27 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.408 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.01 152.83 15.6 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -161.32 141.99 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.557 0.678 . . . . 0.0 111.676 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.3 m -85.07 133.19 34.24 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -168.01 -137.76 2.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.531 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 20.8 t 66.51 -153.4 0.23 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 36.3 t80 -62.76 121.54 13.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.261 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.06 24.73 2.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.505 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.6 m-80 54.49 30.31 12.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.697 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.632 ' HA ' HG23 ' A' ' 8' ' ' VAL . 14.7 m -87.8 -24.39 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 79.1 m-20 -96.26 135.82 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -98.12 126.79 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 53.2 m95 -125.33 127.86 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.577 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 61.2 m -77.6 134.99 38.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.252 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -79.34 75.27 5.93 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.301 -178.501 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -123.01 115.79 22.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 22.2 tp -80.71 119.97 24.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.339 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 pt -105.11 -21.66 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.46 -142.89 7.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.437 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -134.07 137.87 44.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.655 0.264 . . . . 0.0 110.846 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 15' ' ' THR . 26.6 p -77.28 -11.77 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 38' ' ' VAL . 80.0 t -83.21 133.45 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.589 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -67.47 141.87 56.82 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 49.67 14.91 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.691 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -130.56 26.25 5.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.455 0.169 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER 56.16 17.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.552 1.141 . . . . 0.0 112.72 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -176.45 49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 0.0 109.554 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -68.52 135.93 52.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.944 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 6.0 t -145.3 113.02 6.33 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.218 178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 p -75.97 -52.85 9.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.723 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.7 m120 -87.48 55.81 3.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.193 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -46.22 -50.52 15.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.912 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -63.4 -48.91 75.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.667 0.27 . . . . 0.0 111.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -62.81 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.889 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 52.7 mm-40 -59.43 -48.8 80.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.09 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 71.7 m -60.8 -48.13 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 52.6 mtpt -56.72 -40.57 75.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.427 0.632 . . . . 0.0 110.13 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -64.78 -39.33 93.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.287 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.3 mtt180 -83.15 22.41 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.88 44.29 10.3 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.919 -0.657 . . . . 0.0 114.486 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 89.4 m-85 -126.18 155.19 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.402 -0.47 . . . . 0.0 110.102 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.38 -42.77 96.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.205 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.07 -152.69 7.52 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.326 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.92 149.29 14.1 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.431 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -157.36 131.67 8.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.938 0.399 . . . . 0.0 110.357 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 6.0 t -85.51 43.78 1.05 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.247 0.546 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.37 116.0 6.77 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.823 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 p -176.44 176.08 1.68 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.11 114.62 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 21.68 12.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.015 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 50.33 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.698 0.799 . . . . 0.0 112.728 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.721 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.1 p -142.14 -45.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.141 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 78.9 m-20 -79.87 126.56 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.291 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 6.5 t -95.55 111.02 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.579 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.82 124.83 51.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.077 0.465 . . . . 0.0 110.771 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 40.7 m -79.29 135.37 36.73 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.85 112.86 8.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.854 0.359 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.499 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.402 ' HB2' ' HE3' ' A' ' 41' ' ' TRP . 3.0 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HB2' HG21 ' A' ' 44' ' ' THR . 21.8 tptp -151.4 118.63 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.53 121.32 28.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -110.5 -23.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.73 -147.11 10.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.99 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -131.71 135.44 46.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.846 0.355 . . . . 0.0 110.794 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -84.32 30.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.396 0.617 . . . . 0.0 110.446 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -119.3 128.83 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.359 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.91 130.63 44.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.949 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.59 -30.97 9.14 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.659 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 152.07 40.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.563 0.221 . . . . 0.0 110.687 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.63 142.89 15.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.495 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 58.51 55.6 4.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.311 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.88 124.82 16.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.67 0.748 . . . . 0.0 111.536 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.585 ' CG2' ' HG3' ' A' ' 21' ' ' GLU . 4.1 m -103.17 105.74 16.11 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.552 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -56.81 -46.85 81.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 110.795 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.9 t-20 -154.93 95.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 t -35.07 -58.14 0.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.394 1.059 . . . . 0.0 113.506 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 80.9 ttt180 -56.47 -47.17 79.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -66.23 -47.47 73.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CG2' ' A' ' 15' ' ' THR . 19.5 mm-40 -55.95 -50.37 70.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.901 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.78 -40.28 96.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.545 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 7.6 mtmp? -65.48 -39.73 92.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -62.13 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.173 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HE ' ' HE2' ' A' ' 27' ' ' TYR . 76.3 mtp85 -65.41 -56.56 11.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 43.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.777 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HE2' ' HE ' ' A' ' 25' ' ' ARG . 97.3 m-85 -116.82 161.3 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 110.49 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -55.24 -44.29 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.66 0.6 . . . . 0.0 110.176 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.45 -153.31 8.16 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.64 143.89 6.61 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.327 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -144.99 133.6 22.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 110.261 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 5.5 t -87.92 129.12 35.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -161.84 -135.21 1.78 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.506 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 67.32 -143.12 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 38' ' ' VAL . 29.5 t80 -62.55 116.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.65 24.07 2.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.424 0.69 . . . . 0.0 112.348 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 77.8 m-20 53.39 43.87 30.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 35' ' ' PHE . 16.5 m -100.21 -33.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.82 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -84.38 129.24 34.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 112.145 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -92.52 121.29 33.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.678 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.402 ' HE3' ' HB2' ' A' ' 1' ' ' ASP . 66.2 m95 -117.87 120.38 37.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.559 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 32.4 m -77.63 138.22 38.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.197 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.03 112.88 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.764 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 2' ' ' LYS . 13.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.617 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 69.9 m-20 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.683 0.278 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -110.34 125.37 53.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.217 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 40' ' ' CYS . 3.2 tm? -88.12 121.93 31.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 pt -115.09 -19.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.422 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.61 -148.89 8.96 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.975 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 11.9 m -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 111.051 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.45 42.86 1.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.481 0.658 . . . . 0.0 110.087 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.58 HG11 HG23 ' A' ' 38' ' ' VAL . 14.9 p -129.35 131.66 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.097 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -68.77 119.43 13.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.248 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.9 -43.09 1.31 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.853 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 146.68 53.38 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 122.232 0.213 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.79 33.19 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.981 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -162.66 41.26 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.508 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' SER . 35.8 t80 -71.01 126.73 30.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.984 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 p -91.09 129.25 37.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.186 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -38.98 83.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.582 0.706 . . . . 0.0 109.605 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.554 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 28.5 t-20 -156.56 105.8 2.27 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.78 -54.35 15.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -63.99 -46.81 82.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -61.81 -51.91 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -56.98 -46.82 81.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.593 0.235 . . . . 0.0 111.558 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 m -62.55 -43.25 99.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.737 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.59 -42.03 87.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 110.443 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.5 mtp180 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.21 29.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.574 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.93 42.75 92.6 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 114.767 0.667 . . . . 0.0 114.767 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 76.8 m-85 -117.66 156.74 27.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.369 0.585 . . . . 0.0 109.982 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -60.66 -37.08 80.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.316 0.579 . . . . 0.0 110.568 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . 179.2 -146.37 7.14 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.97 143.7 6.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.504 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -132.9 138.39 46.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.11 0.481 . . . . 0.0 111.197 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 49.7 t -93.48 129.28 39.72 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -164.21 -132.21 1.32 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.181 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 34.9 t 69.96 -141.01 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -81.33 99.29 8.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.637 0.256 . . . . 0.0 110.885 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.65 58.5 3.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.906 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.623 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 0.7 OUTLIER 40.95 52.78 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.257 1.023 . . . . 0.0 112.89 179.388 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.58 HG23 HG11 ' A' ' 8' ' ' VAL . 11.5 p -97.41 -43.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.637 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.447 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 60.7 m-80 -94.57 138.1 32.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HD22 ' A' ' 3' ' ' LEU . 2.8 t -104.86 118.38 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.898 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 69.6 m95 -114.87 122.48 46.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 111.7 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 27.1 m -75.07 138.58 42.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.929 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 72.3 mm-40 -66.42 118.6 10.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.501 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.847 179.588 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.515 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 60.9 m-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -146.77 128.34 15.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.462 0.172 . . . . 0.0 111.105 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.5 tp -88.66 122.57 32.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 pt -112.32 -15.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.224 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.99 -143.75 7.21 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.321 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 5.6 t -149.4 137.27 20.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.036 0.446 . . . . 0.0 110.253 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 m -84.08 43.64 0.95 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.886 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.52 131.45 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -68.53 135.81 52.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.794 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.88 -32.06 7.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.218 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -67.07 141.36 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.403 . . . . 0.0 110.922 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.75 37.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 122.175 0.988 . . . . 0.0 110.522 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 11' ' ' ALA . 33.4 p30 -172.61 44.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.424 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' SER . 59.8 t80 -73.17 138.72 45.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.3 t -122.7 134.26 54.47 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.415 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -75.31 -26.07 58.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -158.79 104.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -55.48 -51.43 67.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.889 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -58.82 -51.27 70.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.83 -46.34 84.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.0 111.734 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -60.69 -47.06 87.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.411 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.3 m -65.97 -41.66 90.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.38 -42.18 95.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.2 mtm180 -65.88 -42.52 90.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' A' ' 25' ' ' ARG . 54.6 mtt85 -59.98 -50.52 73.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.73 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.91 41.6 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.231 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 84.6 m-85 -125.97 152.02 46.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.723 0.296 . . . . 0.0 110.704 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -57.52 -36.91 72.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.543 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.67 -158.13 12.28 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.87 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -171.3 147.44 10.3 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -153.75 142.32 20.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.196 0.498 . . . . 0.0 111.532 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -86.76 132.94 33.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -171.53 -142.45 3.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.601 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 45.6 m 59.58 -141.29 0.63 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.526 0.33 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.22 127.32 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.98 10.57 2.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.217 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 0.4 OUTLIER 49.72 47.66 22.61 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.504 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.43 -32.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.665 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 33.6 m-80 -53.53 123.99 13.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 111.448 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' O ' HD12 ' A' ' 3' ' ' LEU . 9.0 t -87.55 108.28 18.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.742 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -114.0 118.98 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.085 0.469 . . . . 0.0 110.545 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 25.5 m -72.1 135.04 46.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.299 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.65 120.59 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.515 ' HB ' ' HA ' ' A' ' 1' ' ' ASP . 32.2 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.606 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 34.1 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 54.5 tptt -136.08 128.68 30.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 40' ' ' CYS . 23.3 tp -92.32 118.07 30.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.415 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 pt -96.68 -22.93 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.801 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.07 -153.37 14.48 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.865 -1.16 . . . . 0.0 113.027 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 6.1 m -132.7 139.04 47.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 111.179 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 22.5 m -88.02 39.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' HA ' ' A' ' 38' ' ' VAL . 67.0 t -136.31 129.7 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -67.69 130.96 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.747 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.32 -45.64 1.11 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -70.66 138.73 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.393 -0.404 . . . . 0.0 110.22 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.57 41.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.467 0.651 . . . . 0.0 111.092 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ALA . 17.2 p30 -163.34 35.78 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.127 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' SER . 49.6 t80 -64.18 125.81 25.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.201 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -95.78 123.67 39.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -70.8 -53.31 15.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 0.0 110.693 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.5 m120 -131.89 75.88 1.67 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.8 t -28.63 -61.49 0.12 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -62.14 -47.7 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.04 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.829 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 38.9 mm-40 -59.58 -50.17 74.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.452 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 54.6 m -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 47.6 mtpt -59.86 -40.89 90.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.9 -45.62 93.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 92.8 mtt180 -70.27 -54.02 14.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.445 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.68 44.44 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.028 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 83.2 m-85 -130.48 156.78 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.62 -40.93 96.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.193 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.15 8.31 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.782 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.06 155.44 20.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -151.59 138.12 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 0.0 111.919 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -88.15 125.63 34.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.0 -133.28 1.54 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 119.57 -1.3 . . . . 0.0 113.255 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 25.7 m 70.45 -141.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.243 0.617 . . . . 0.0 109.613 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -61.69 102.27 0.25 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 68.19 -69.3 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.186 0.929 . . . . 0.0 110.738 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 176.79 112.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.617 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.3 p -164.05 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 31.4 m120 -72.9 132.78 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.978 0.418 . . . . 0.0 111.989 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 6.0 t -104.34 103.21 12.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.886 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -99.26 127.55 45.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.937 0.399 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 55.5 m -86.11 132.12 34.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.637 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.04 104.53 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.806 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 1' ' ' ASP . 12.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.658 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.58 0.229 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -125.23 132.72 52.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.873 0.368 . . . . 0.0 110.341 179.276 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 40' ' ' CYS . 51.6 tp -83.92 124.38 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.873 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.7 pt -106.23 -20.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.284 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.68 159.18 24.15 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.302 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 9.2 t -77.25 129.05 35.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -86.16 51.56 2.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.587 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 10.8 p -137.2 137.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.264 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -65.85 120.98 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.238 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.95 -40.82 1.62 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.525 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 139.31 58.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.52 0.2 . . . . 0.0 110.788 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -78.47 36.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.303 0.573 . . . . 0.0 111.381 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.26 34.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.071 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 6' ' ' SER . 9.4 t80 -78.79 118.45 20.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.822 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -110.24 84.81 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.974 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -54.22 -48.85 70.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.701 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -94.58 59.42 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.369 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.2 t -45.56 -52.1 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.282 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 13.2 tpt180 -57.04 -49.93 74.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.508 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.12 72.25 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 24' ' ' ARG . 4.8 mm-40 -60.07 -46.9 88.01 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 89.9 m -61.08 -45.52 94.39 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.189 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 48.1 mtmt -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.7 tmm_? -63.95 -41.77 97.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.809 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.7 mtt180 -68.76 -55.63 10.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.88 44.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.397 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 71.0 m-85 -126.48 156.04 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.94 -48.59 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.48 -151.78 5.7 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.107 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . 177.63 151.16 9.0 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -163.03 141.98 8.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.73 123.19 30.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.601 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.485 ' HA2' ' OD1' ' A' ' 37' ' ' ASN . . . -161.25 -139.71 2.71 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.177 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 16.8 t 66.17 -149.6 0.21 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.647 0.379 . . . . 0.0 110.095 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.4 t80 -56.18 117.8 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.351 0.261 . . . . 0.0 111.359 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.46 22.37 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.382 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' OD1' ' HA2' ' A' ' 33' ' ' GLY . 71.9 m-20 54.53 25.45 6.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.848 0.459 . . . . 0.0 111.93 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.1 m -102.58 34.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.165 0.507 . . . . 0.0 111.242 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 50.1 m-80 -140.11 129.85 24.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.415 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 3' ' ' LEU . 3.0 t -91.42 112.19 23.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -112.45 120.91 43.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 27.7 m -74.25 125.68 28.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.53 115.85 4.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.178 0.513 . . . . 0.0 109.768 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.251 -178.261 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -113.75 122.46 47.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -82.27 129.38 34.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 pt -117.43 -18.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.302 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.94 -150.37 9.85 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.058 -1.068 . . . . 0.0 113.03 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -113.47 160.51 18.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.221 0.534 . . . . 0.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.14 37.31 4.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.62 0.724 . . . . 0.0 109.824 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.89 141.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.678 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -68.67 132.4 46.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.13 -46.1 1.14 Allowed Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 140.48 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.2 35.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.447 0.641 . . . . 0.0 110.925 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -153.33 26.24 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.459 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -79.34 136.86 37.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 128.62 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 p -72.82 -45.53 57.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.366 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.873 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 7.2 m120 -81.36 59.85 4.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -57.51 -53.28 59.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.3 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 67.8 ttt180 -63.26 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.59 -41.83 95.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.59 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -58.28 -48.63 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.233 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 55.5 m -63.24 -40.2 96.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 99.0 mttt -64.88 -40.15 94.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 21' ' ' GLU . 4.7 tmm_? -62.02 -42.26 98.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.677 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 89.0 mtt180 -74.41 -45.87 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.88 57.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.308 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 97.1 m-85 -134.99 160.17 39.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.981 0.39 . . . . 0.0 110.645 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.75 -39.32 73.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -172.34 -152.78 8.78 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.806 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -168.52 144.06 8.54 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -154.65 147.21 24.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.255 0.55 . . . . 0.0 111.362 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.8 m -84.58 121.74 28.05 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.47 -142.15 3.5 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.879 -1.153 . . . . 0.0 113.325 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 80.6 p 56.52 -139.47 0.92 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.542 0.737 . . . . 0.0 110.279 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.2 t80 -61.39 113.55 2.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 47.35 27.74 0.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.1 m-80 55.56 27.52 10.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.685 0.394 . . . . 0.0 111.883 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 35' ' ' PHE . 17.6 m -90.43 9.8 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 79.2 m-20 -129.27 138.63 51.75 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' O ' HD12 ' A' ' 3' ' ' LEU . 19.5 t -90.86 115.0 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -115.35 122.75 46.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.588 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 55.7 m -75.11 134.31 41.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.343 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 36.2 mm-40 -64.95 114.51 4.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.474 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 61.2 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.829 0.347 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -157.44 101.45 1.86 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 40' ' ' CYS . 15.7 tp -70.92 125.18 26.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.477 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.8 pt -120.76 -14.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.02 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.47 -152.36 10.97 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.516 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.7 m -138.14 135.66 35.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 0.0 110.736 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.9 m -84.25 44.33 1.01 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.126 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.25 135.99 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -66.98 133.9 50.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.62 -41.21 2.12 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.149 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.62 141.43 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.06 31.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.472 0.653 . . . . 0.0 111.438 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 11' ' ' ALA . 5.9 p30 -165.52 42.97 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.818 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' SER . 22.6 t80 -64.62 131.41 46.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.427 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.79 122.9 39.81 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.952 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 p -75.1 -43.3 53.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.396 0.617 . . . . 0.0 109.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -133.25 82.59 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 37.1 t -44.32 -50.61 8.97 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.128 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.12 -50.53 73.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.433 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.695 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.68 -48.46 81.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 68.7 m -63.11 -44.72 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.836 0.35 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.17 -37.33 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.399 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -62.29 -44.42 96.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.166 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -68.34 -54.04 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.17 44.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.549 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 86.3 m-85 -120.36 159.12 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.93 -43.76 86.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -168.98 -150.31 6.64 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.16 155.12 18.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.017 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -160.76 139.89 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.0 m -90.03 125.91 35.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -159.07 -146.3 4.51 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.225 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.731 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 34.7 t 64.87 -143.81 0.24 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.5 t80 -58.95 119.13 6.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.685 0.279 . . . . 0.0 111.522 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.2 17.44 2.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.286 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 75.3 m-20 56.0 32.11 19.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.461 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.2 m -97.2 -30.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.433 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.731 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 58.1 m-20 -64.95 125.44 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 111.431 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.9 t -93.65 115.47 27.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.602 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 1' ' ' ASP . 44.9 m95 -115.32 119.51 36.55 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 37.3 m -76.04 138.64 40.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 33.1 mm-40 -69.16 118.66 12.34 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.862 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -104.65 119.3 38.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -83.13 124.88 30.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.89 -20.63 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA3' ' HB2' ' A' ' 13' ' ' ASN . . . 174.17 -137.27 3.9 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.632 -1.271 . . . . 0.0 113.597 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -146.37 143.73 29.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.153 0.501 . . . . 0.0 110.764 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.2 m -85.43 34.32 0.58 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.258 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.652 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.4 t -120.4 136.18 58.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 0.0 111.263 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -67.72 132.77 48.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.19 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.2 3.32 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.599 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.23 143.02 56.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.286 . . . . 0.0 111.012 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -80.03 43.43 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.825 0.822 . . . . 0.0 110.054 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 5.0 p30 -178.61 44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.728 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 16' ' ' SER . 16.8 t80 -61.31 130.53 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.777 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.517 HG22 ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -147.87 73.22 1.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.627 -179.174 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 32.3 t -61.22 -50.1 74.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.325 0.583 . . . . 0.0 109.583 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.0 m120 -87.82 54.38 3.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.6 t -43.2 -52.4 5.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.302 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 40.2 ttm180 -59.05 -48.46 81.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.605 0.24 . . . . 0.0 111.55 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -63.61 -44.43 93.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.758 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 5.1 mm-40 -61.42 -44.19 97.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.087 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.1 m -66.2 -37.99 86.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.88 -28.52 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 110.562 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.758 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 76.5 mtp180 -59.55 -46.36 89.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.35 -50.13 55.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.54 32.92 0.11 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.425 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 98.9 m-85 -96.82 153.8 17.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.535 0.207 . . . . 0.0 110.482 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.97 -37.45 69.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.54 -149.34 6.52 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.136 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.62 152.39 16.44 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -164.08 143.42 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.064 0.432 . . . . 0.0 110.898 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.39 124.46 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 37' ' ' ASN . . . -151.48 -143.92 3.81 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.822 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.703 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 15.9 t 61.77 -138.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 38' ' ' VAL . 38.7 t80 -59.65 116.92 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.33 0.252 . . . . 0.0 111.144 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.81 26.81 1.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.528 0.731 . . . . 0.0 112.598 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 6.5 m120 53.31 38.51 27.94 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.927 0.491 . . . . 0.0 112.037 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.652 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 m -101.75 -36.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.863 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.703 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 2.6 m120 -63.62 129.87 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.469 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.2 t -86.23 113.19 22.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 110.601 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -114.7 122.02 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.727 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 55.7 m -72.05 129.4 38.43 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.21 114.91 5.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.735 -177.499 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.608 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 58.1 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.611 0.244 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TRP . 11.0 mmmm -115.52 128.22 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 17.6 tp -85.0 85.53 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.7 pt -77.08 -9.32 12.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.29 -145.42 10.71 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.721 -1.228 . . . . 0.0 113.44 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -114.62 156.62 24.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 45.9 t -122.6 34.53 5.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.474 0.654 . . . . 0.0 109.721 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 38' ' ' VAL . 51.8 t -134.83 136.39 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -59.59 134.71 57.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 48.13 8.5 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.33 157.13 44.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.542 0.21 . . . . 0.0 110.448 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.8 136.3 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 62.34 37.69 13.64 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.47 138.84 55.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -146.43 124.3 11.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -79.4 -46.41 17.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.3 m120 -87.6 59.94 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.145 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.1 t -47.02 -52.24 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.688 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.472 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 36.8 ttm180 -65.22 -46.54 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -58.42 -43.76 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 63.3 mm-40 -59.36 -44.8 92.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.667 0.27 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 32.4 m -62.85 -42.73 99.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.17 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -61.13 -42.86 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.956 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -61.53 -42.78 99.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.909 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 2.5 mtp-105 -68.95 -49.05 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.83 46.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.606 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 74.8 m-85 -123.39 154.45 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.03 -40.34 93.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.21 -156.41 8.27 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.408 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.01 152.83 15.6 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -161.32 141.99 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.557 0.678 . . . . 0.0 111.676 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.3 m -85.07 133.19 34.24 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -168.01 -137.76 2.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.531 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 20.8 t 66.51 -153.4 0.23 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 36.3 t80 -62.76 121.54 13.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.261 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.06 24.73 2.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.505 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.6 m-80 54.49 30.31 12.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.697 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.632 ' HA ' HG23 ' A' ' 8' ' ' VAL . 14.7 m -87.8 -24.39 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 79.1 m-20 -96.26 135.82 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -98.12 126.79 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 53.2 m95 -125.33 127.86 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.577 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 61.2 m -77.6 134.99 38.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.252 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -79.34 75.27 5.93 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.301 -178.501 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -123.01 115.79 22.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 22.2 tp -80.71 119.97 24.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.339 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 pt -105.11 -21.66 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.46 -142.89 7.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.437 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -134.07 137.87 44.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.655 0.264 . . . . 0.0 110.846 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 15' ' ' THR . 26.6 p -77.28 -11.77 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 38' ' ' VAL . 80.0 t -83.21 133.45 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.589 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -67.47 141.87 56.82 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 49.67 14.91 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.691 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -130.56 26.25 5.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.455 0.169 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER 56.16 17.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.552 1.141 . . . . 0.0 112.72 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -176.45 49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 0.0 109.554 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -68.52 135.93 52.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.944 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 6.0 t -145.3 113.02 6.33 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.218 178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 p -75.97 -52.85 9.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.723 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.7 m120 -87.48 55.81 3.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.193 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -46.22 -50.52 15.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.912 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -63.4 -48.91 75.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.667 0.27 . . . . 0.0 111.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -62.81 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.889 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 52.7 mm-40 -59.43 -48.8 80.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.09 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 71.7 m -60.8 -48.13 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 52.6 mtpt -56.72 -40.57 75.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.427 0.632 . . . . 0.0 110.13 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -64.78 -39.33 93.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.287 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.3 mtt180 -83.15 22.41 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.88 44.29 10.3 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.919 -0.657 . . . . 0.0 114.486 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 89.4 m-85 -126.18 155.19 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.402 -0.47 . . . . 0.0 110.102 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.38 -42.77 96.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.205 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.07 -152.69 7.52 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.326 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.92 149.29 14.1 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.431 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -157.36 131.67 8.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.938 0.399 . . . . 0.0 110.357 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 6.0 t -85.51 43.78 1.05 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.247 0.546 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.37 116.0 6.77 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.823 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 p -176.44 176.08 1.68 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.11 114.62 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 21.68 12.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.015 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 50.33 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.698 0.799 . . . . 0.0 112.728 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.721 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.1 p -142.14 -45.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.141 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 78.9 m-20 -79.87 126.56 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.291 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 6.5 t -95.55 111.02 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.579 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.82 124.83 51.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.077 0.465 . . . . 0.0 110.771 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 40.7 m -79.29 135.37 36.73 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.85 112.86 8.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.854 0.359 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.499 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' HB2' ' HE3' ' A' ' 41' ' ' TRP . 3.0 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HB2' HG21 ' A' ' 44' ' ' THR . 21.8 tptp -151.4 118.63 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.53 121.32 28.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -110.5 -23.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.73 -147.11 10.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.99 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -131.71 135.44 46.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.846 0.355 . . . . 0.0 110.794 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -84.32 30.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.396 0.617 . . . . 0.0 110.446 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -119.3 128.83 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.359 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.91 130.63 44.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.949 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.59 -30.97 9.14 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.659 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 152.07 40.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.563 0.221 . . . . 0.0 110.687 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.63 142.89 15.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.495 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 58.51 55.6 4.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.311 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.88 124.82 16.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.67 0.748 . . . . 0.0 111.536 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.585 ' CG2' ' HG3' ' A' ' 21' ' ' GLU . 4.1 m -103.17 105.74 16.11 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.552 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -56.81 -46.85 81.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 110.795 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.9 t-20 -154.93 95.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 t -35.07 -58.14 0.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.394 1.059 . . . . 0.0 113.506 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 80.9 ttt180 -56.47 -47.17 79.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . . . -66.23 -47.47 73.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CG2' ' A' ' 15' ' ' THR . 19.5 mm-40 -55.95 -50.37 70.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.901 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.78 -40.28 96.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.545 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 7.6 mtmp? -65.48 -39.73 92.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -62.13 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.173 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HE ' ' HE2' ' A' ' 27' ' ' TYR . 76.3 mtp85 -65.41 -56.56 11.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 43.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.777 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HE2' ' HE ' ' A' ' 25' ' ' ARG . 97.3 m-85 -116.82 161.3 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 110.49 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -55.24 -44.29 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.66 0.6 . . . . 0.0 110.176 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.45 -153.31 8.16 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.64 143.89 6.61 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.327 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -144.99 133.6 22.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 110.261 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 5.5 t -87.92 129.12 35.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -161.84 -135.21 1.78 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.506 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 67.32 -143.12 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 38' ' ' VAL . 29.5 t80 -62.55 116.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.65 24.07 2.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.424 0.69 . . . . 0.0 112.348 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 77.8 m-20 53.39 43.87 30.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 35' ' ' PHE . 16.5 m -100.21 -33.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.82 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -84.38 129.24 34.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 112.145 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -92.52 121.29 33.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.678 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.402 ' HE3' ' HB2' ' A' ' 1' ' ' ASP . 66.2 m95 -117.87 120.38 37.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.559 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 32.4 m -77.63 138.22 38.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.197 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.03 112.88 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.764 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 2' ' ' LYS . 13.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.617 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 69.9 m-20 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.683 0.278 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -110.34 125.37 53.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.217 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 40' ' ' CYS . 3.2 tm? -88.12 121.93 31.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 pt -115.09 -19.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.422 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.61 -148.89 8.96 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.975 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 11.9 m -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 111.051 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.45 42.86 1.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.481 0.658 . . . . 0.0 110.087 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.58 HG11 HG23 ' A' ' 38' ' ' VAL . 14.9 p -129.35 131.66 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.097 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -68.77 119.43 13.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.248 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.9 -43.09 1.31 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.853 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 146.68 53.38 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 122.232 0.213 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.79 33.19 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.981 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -162.66 41.26 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.508 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' SER . 35.8 t80 -71.01 126.73 30.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.984 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 p -91.09 129.25 37.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.186 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -38.98 83.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.582 0.706 . . . . 0.0 109.605 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.554 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 28.5 t-20 -156.56 105.8 2.27 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.78 -54.35 15.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -63.99 -46.81 82.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -61.81 -51.91 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -56.98 -46.82 81.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.593 0.235 . . . . 0.0 111.558 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 m -62.55 -43.25 99.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.737 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.59 -42.03 87.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 110.443 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.5 mtp180 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.21 29.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.574 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.93 42.75 92.6 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 114.767 0.667 . . . . 0.0 114.767 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 76.8 m-85 -117.66 156.74 27.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.369 0.585 . . . . 0.0 109.982 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -60.66 -37.08 80.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.316 0.579 . . . . 0.0 110.568 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . 179.2 -146.37 7.14 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.97 143.7 6.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.504 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -132.9 138.39 46.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.11 0.481 . . . . 0.0 111.197 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 49.7 t -93.48 129.28 39.72 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -164.21 -132.21 1.32 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.181 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 34.9 t 69.96 -141.01 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -81.33 99.29 8.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.637 0.256 . . . . 0.0 110.885 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.65 58.5 3.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.906 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.623 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 17.0 p30 40.95 52.78 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.257 1.023 . . . . 0.0 112.89 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.58 HG23 HG11 ' A' ' 8' ' ' VAL . 11.5 p -97.41 -43.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.637 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.447 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 60.7 m-80 -94.57 138.1 32.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HD22 ' A' ' 3' ' ' LEU . 2.8 t -104.86 118.38 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.898 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 69.6 m95 -114.87 122.48 46.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 111.7 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 27.1 m -75.07 138.58 42.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.929 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 72.3 mm-40 -66.42 118.6 10.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.501 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.847 179.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.515 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 60.9 m-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -146.77 128.34 15.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.462 0.172 . . . . 0.0 111.105 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.5 tp -88.66 122.57 32.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 pt -112.32 -15.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.224 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.99 -143.75 7.21 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.321 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 5.6 t -149.4 137.27 20.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.036 0.446 . . . . 0.0 110.253 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 m -84.08 43.64 0.95 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.886 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.52 131.45 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -68.53 135.81 52.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.794 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.88 -32.06 7.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.218 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -67.07 141.36 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.403 . . . . 0.0 110.922 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.75 37.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 122.175 0.988 . . . . 0.0 110.522 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -172.61 44.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.424 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' SER . 59.8 t80 -73.17 138.72 45.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.3 t -122.7 134.26 54.47 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.415 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -75.31 -26.07 58.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -158.79 104.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -55.48 -51.43 67.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.889 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -58.82 -51.27 70.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.83 -46.34 84.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.0 111.734 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -60.69 -47.06 87.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.411 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.3 m -65.97 -41.66 90.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.38 -42.18 95.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.2 mtm180 -65.88 -42.52 90.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' A' ' 25' ' ' ARG . 54.6 mtt85 -59.98 -50.52 73.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.73 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.91 41.6 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.231 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 84.6 m-85 -125.97 152.02 46.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.723 0.296 . . . . 0.0 110.704 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -57.52 -36.91 72.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.543 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.67 -158.13 12.28 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.87 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -171.3 147.44 10.3 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -153.75 142.32 20.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.196 0.498 . . . . 0.0 111.532 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -86.76 132.94 33.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -171.53 -142.45 3.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.601 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 45.6 m 59.58 -141.29 0.63 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.526 0.33 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.22 127.32 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.98 10.57 2.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.217 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 9.7 t-20 49.72 47.66 22.61 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.504 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.43 -32.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.665 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 33.6 m-80 -53.53 123.99 13.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 111.448 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' O ' HD12 ' A' ' 3' ' ' LEU . 9.0 t -87.55 108.28 18.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.742 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -114.0 118.98 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.085 0.469 . . . . 0.0 110.545 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 25.5 m -72.1 135.04 46.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.299 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.65 120.59 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.515 ' HB ' ' HA ' ' A' ' 1' ' ' ASP . 32.2 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.606 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 34.1 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 54.5 tptt -136.08 128.68 30.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 40' ' ' CYS . 23.3 tp -92.32 118.07 30.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.415 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 pt -96.68 -22.93 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.801 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.07 -153.37 14.48 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.865 -1.16 . . . . 0.0 113.027 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 6.1 m -132.7 139.04 47.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 111.179 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 22.5 m -88.02 39.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' HA ' ' A' ' 38' ' ' VAL . 67.0 t -136.31 129.7 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -67.69 130.96 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.747 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.32 -45.64 1.11 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -70.66 138.73 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.393 -0.404 . . . . 0.0 110.22 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.57 41.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.467 0.651 . . . . 0.0 111.092 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ALA . 17.2 p30 -163.34 35.78 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.127 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' SER . 49.6 t80 -64.18 125.81 25.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.201 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -95.78 123.67 39.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -70.8 -53.31 15.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 0.0 110.693 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.5 m120 -131.89 75.88 1.67 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.8 t -28.63 -61.49 0.12 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -62.14 -47.7 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.04 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.829 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 38.9 mm-40 -59.58 -50.17 74.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.452 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 54.6 m -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 47.6 mtpt -59.86 -40.89 90.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.9 -45.62 93.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 92.8 mtt180 -70.27 -54.02 14.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.445 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.68 44.44 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.028 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 83.2 m-85 -130.48 156.78 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.62 -40.93 96.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.193 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.15 8.31 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.782 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.06 155.44 20.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -151.59 138.12 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 0.0 111.919 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -88.15 125.63 34.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.0 -133.28 1.54 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 119.57 -1.3 . . . . 0.0 113.255 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.485 ' CB ' HD22 ' A' ' 39' ' ' ASN . 25.7 m 70.45 -141.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.243 0.617 . . . . 0.0 109.613 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -61.69 102.27 0.25 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 68.19 -69.3 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.186 0.929 . . . . 0.0 110.738 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 176.79 112.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.617 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.3 p -164.05 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.485 HD22 ' CB ' ' A' ' 34' ' ' SER . 79.9 m-20 -72.9 132.78 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.978 0.418 . . . . 0.0 111.989 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 6.0 t -104.34 103.21 12.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.886 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -99.26 127.55 45.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.937 0.399 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 55.5 m -86.11 132.12 34.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.637 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.04 104.53 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.806 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 1' ' ' ASP . 12.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.658 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.58 0.229 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -125.23 132.72 52.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.873 0.368 . . . . 0.0 110.341 179.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 40' ' ' CYS . 51.6 tp -83.92 124.38 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.873 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.7 pt -106.23 -20.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.284 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.68 159.18 24.15 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.302 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 9.2 t -77.25 129.05 35.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -86.16 51.56 2.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.587 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 10.8 p -137.2 137.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.264 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -65.85 120.98 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.238 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.95 -40.82 1.62 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.525 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 139.31 58.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.52 0.2 . . . . 0.0 110.788 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -78.47 36.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.303 0.573 . . . . 0.0 111.381 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.26 34.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.071 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 6' ' ' SER . 9.4 t80 -78.79 118.45 20.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.822 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -110.24 84.81 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.974 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -54.22 -48.85 70.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.701 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -94.58 59.42 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.369 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.2 t -45.56 -52.1 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.282 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 13.2 tpt180 -57.04 -49.93 74.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.508 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.12 72.25 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 24' ' ' ARG . 4.8 mm-40 -60.07 -46.9 88.01 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 89.9 m -61.08 -45.52 94.39 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.189 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 48.1 mtmt -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.7 tmm_? -63.95 -41.77 97.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.809 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.7 mtt180 -68.76 -55.63 10.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.88 44.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.397 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 71.0 m-85 -126.48 156.04 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.94 -48.59 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.48 -151.78 5.7 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.107 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.618 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . 177.63 151.16 9.0 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -163.03 141.98 8.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.73 123.19 30.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.601 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.485 ' HA2' ' OD1' ' A' ' 37' ' ' ASN . . . -161.25 -139.71 2.71 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.177 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 16.8 t 66.17 -149.6 0.21 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.647 0.379 . . . . 0.0 110.095 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.4 t80 -56.18 117.8 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.351 0.261 . . . . 0.0 111.359 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.46 22.37 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.382 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' OD1' ' HA2' ' A' ' 33' ' ' GLY . 71.9 m-20 54.53 25.45 6.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.848 0.459 . . . . 0.0 111.93 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.1 m -102.58 34.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.165 0.507 . . . . 0.0 111.242 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 50.1 m-80 -140.11 129.85 24.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.415 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 3' ' ' LEU . 3.0 t -91.42 112.19 23.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -112.45 120.91 43.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 27.7 m -74.25 125.68 28.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.53 115.85 4.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.178 0.513 . . . . 0.0 109.768 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.251 -178.261 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -113.75 122.46 47.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -82.27 129.38 34.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 pt -117.43 -18.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.302 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.94 -150.37 9.85 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.058 -1.068 . . . . 0.0 113.03 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -113.47 160.51 18.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.221 0.534 . . . . 0.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.14 37.31 4.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.62 0.724 . . . . 0.0 109.824 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.89 141.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.678 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -68.67 132.4 46.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.13 -46.1 1.14 Allowed Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 140.48 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.2 35.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.447 0.641 . . . . 0.0 110.925 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -153.33 26.24 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.459 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -79.34 136.86 37.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 128.62 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 p -72.82 -45.53 57.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.366 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.873 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 7.2 m120 -81.36 59.85 4.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -57.51 -53.28 59.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.3 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 67.8 ttt180 -63.26 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.59 -41.83 95.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.59 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -58.28 -48.63 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.233 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 55.5 m -63.24 -40.2 96.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 99.0 mttt -64.88 -40.15 94.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 21' ' ' GLU . 4.7 tmm_? -62.02 -42.26 98.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.677 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 89.0 mtt180 -74.41 -45.87 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.88 57.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.308 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 97.1 m-85 -134.99 160.17 39.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.981 0.39 . . . . 0.0 110.645 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.75 -39.32 73.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -172.34 -152.78 8.78 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.806 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -168.52 144.06 8.54 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -154.65 147.21 24.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.255 0.55 . . . . 0.0 111.362 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.8 m -84.58 121.74 28.05 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.47 -142.15 3.5 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.879 -1.153 . . . . 0.0 113.325 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 80.6 p 56.52 -139.47 0.92 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.542 0.737 . . . . 0.0 110.279 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.2 t80 -61.39 113.55 2.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 47.35 27.74 0.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.1 m-80 55.56 27.52 10.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.685 0.394 . . . . 0.0 111.883 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 35' ' ' PHE . 17.6 m -90.43 9.8 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 79.2 m-20 -129.27 138.63 51.75 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' O ' HD12 ' A' ' 3' ' ' LEU . 19.5 t -90.86 115.0 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -115.35 122.75 46.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.588 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 55.7 m -75.11 134.31 41.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.343 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 36.2 mm-40 -64.95 114.51 4.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.474 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 61.2 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.829 0.347 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -157.44 101.45 1.86 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 40' ' ' CYS . 15.7 tp -70.92 125.18 26.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.477 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.8 pt -120.76 -14.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.02 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.47 -152.36 10.97 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.516 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.7 m -138.14 135.66 35.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 0.0 110.736 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.9 m -84.25 44.33 1.01 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.126 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.25 135.99 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -66.98 133.9 50.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.62 -41.21 2.12 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.149 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.62 141.43 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.06 31.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.472 0.653 . . . . 0.0 111.438 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 11' ' ' ALA . 5.9 p30 -165.52 42.97 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.818 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' SER . 22.6 t80 -64.62 131.41 46.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.427 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.79 122.9 39.81 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.952 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 p -75.1 -43.3 53.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.396 0.617 . . . . 0.0 109.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -133.25 82.59 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 37.1 t -44.32 -50.61 8.97 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.128 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.12 -50.53 73.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.433 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.695 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.68 -48.46 81.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 68.7 m -63.11 -44.72 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.836 0.35 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.17 -37.33 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.399 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -62.29 -44.42 96.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.166 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -68.34 -54.04 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.17 44.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.549 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 86.3 m-85 -120.36 159.12 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.93 -43.76 86.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -168.98 -150.31 6.64 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.16 155.12 18.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.017 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -160.76 139.89 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.0 m -90.03 125.91 35.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.467 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -159.07 -146.3 4.51 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.225 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.731 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 34.7 t 64.87 -143.81 0.24 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.5 t80 -58.95 119.13 6.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.685 0.279 . . . . 0.0 111.522 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.2 17.44 2.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.286 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 75.3 m-20 56.0 32.11 19.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.461 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.2 m -97.2 -30.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.433 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.731 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 58.1 m-20 -64.95 125.44 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 111.431 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.9 t -93.65 115.47 27.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.602 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 1' ' ' ASP . 44.9 m95 -115.32 119.51 36.55 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 37.3 m -76.04 138.64 40.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 33.1 mm-40 -69.16 118.66 12.34 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.862 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -104.65 119.3 38.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -83.13 124.88 30.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.89 -20.63 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA3' ' HB2' ' A' ' 13' ' ' ASN . . . 174.17 -137.27 3.9 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.632 -1.271 . . . . 0.0 113.597 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -146.37 143.73 29.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.153 0.501 . . . . 0.0 110.764 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.2 m -85.43 34.32 0.58 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.258 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.652 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.4 t -120.4 136.18 58.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 0.0 111.263 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -67.72 132.77 48.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.19 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.2 3.32 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.599 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.23 143.02 56.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.286 . . . . 0.0 111.012 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -80.03 43.43 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.825 0.822 . . . . 0.0 110.054 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.509 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 5.0 p30 -178.61 44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.728 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 16' ' ' SER . 16.8 t80 -61.31 130.53 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.777 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.517 HG22 ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -147.87 73.22 1.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.627 -179.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 32.3 t -61.22 -50.1 74.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.325 0.583 . . . . 0.0 109.583 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.0 m120 -87.82 54.38 3.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.6 t -43.2 -52.4 5.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.302 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 40.2 ttm180 -59.05 -48.46 81.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.605 0.24 . . . . 0.0 111.55 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -63.61 -44.43 93.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.758 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 5.1 mm-40 -61.42 -44.19 97.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.087 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.1 m -66.2 -37.99 86.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.88 -28.52 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 110.562 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.758 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 76.5 mtp180 -59.55 -46.36 89.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.35 -50.13 55.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.54 32.92 0.11 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.425 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 98.9 m-85 -96.82 153.8 17.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.535 0.207 . . . . 0.0 110.482 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.97 -37.45 69.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.54 -149.34 6.52 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.136 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.62 152.39 16.44 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -164.08 143.42 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.064 0.432 . . . . 0.0 110.898 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.39 124.46 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 37' ' ' ASN . . . -151.48 -143.92 3.81 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.822 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.703 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 15.9 t 61.77 -138.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 38' ' ' VAL . 38.7 t80 -59.65 116.92 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.33 0.252 . . . . 0.0 111.144 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.81 26.81 1.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.528 0.731 . . . . 0.0 112.598 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 6.5 m120 53.31 38.51 27.94 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.927 0.491 . . . . 0.0 112.037 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.652 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 m -101.75 -36.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.863 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.703 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 2.6 m120 -63.62 129.87 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.469 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.2 t -86.23 113.19 22.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 110.601 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -114.7 122.02 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.727 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 55.7 m -72.05 129.4 38.43 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.21 114.91 5.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.735 -177.499 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.608 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 58.1 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.611 0.244 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TRP . 11.0 mmmm -115.52 128.22 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 17.6 tp -85.0 85.53 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.7 pt -77.08 -9.32 12.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.29 -145.42 10.71 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.721 -1.228 . . . . 0.0 113.44 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -114.62 156.62 24.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 45.9 t -122.6 34.53 5.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.474 0.654 . . . . 0.0 109.721 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 38' ' ' VAL . 51.8 t -134.83 136.39 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -59.59 134.71 57.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 48.13 8.5 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.33 157.13 44.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.542 0.21 . . . . 0.0 110.448 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.8 136.3 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 62.34 37.69 13.64 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.47 138.84 55.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -146.43 124.3 11.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -79.4 -46.41 17.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.3 m120 -87.6 59.94 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.145 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.1 t -47.02 -52.24 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.688 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.472 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 36.8 ttm180 -65.22 -46.54 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -58.42 -43.76 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 63.3 mm-40 -59.36 -44.8 92.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.667 0.27 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 32.4 m -62.85 -42.73 99.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.17 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -61.13 -42.86 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.956 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -61.53 -42.78 99.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.909 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 2.5 mtp-105 -68.95 -49.05 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.83 46.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.606 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 74.8 m-85 -123.39 154.45 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.03 -40.34 93.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.21 -156.41 8.27 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.408 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.01 152.83 15.6 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -161.32 141.99 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.557 0.678 . . . . 0.0 111.676 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.3 m -85.07 133.19 34.24 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -168.01 -137.76 2.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.531 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 20.8 t 66.51 -153.4 0.23 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 36.3 t80 -62.76 121.54 13.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.261 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.06 24.73 2.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.505 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.6 m-80 54.49 30.31 12.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.697 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.632 ' HA ' HG23 ' A' ' 8' ' ' VAL . 14.7 m -87.8 -24.39 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 79.1 m-20 -96.26 135.82 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -98.12 126.79 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 53.2 m95 -125.33 127.86 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.577 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 61.2 m -77.6 134.99 38.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.252 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -79.34 75.27 5.93 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.301 -178.501 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -123.01 115.79 22.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 22.2 tp -80.71 119.97 24.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.339 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 pt -105.11 -21.66 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.46 -142.89 7.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.437 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -134.07 137.87 44.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.655 0.264 . . . . 0.0 110.846 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 15' ' ' THR . 26.6 p -77.28 -11.77 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 38' ' ' VAL . 80.0 t -83.21 133.45 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.589 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -67.47 141.87 56.82 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 49.67 14.91 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.691 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -130.56 26.25 5.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.455 0.169 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER 56.16 17.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.552 1.141 . . . . 0.0 112.72 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -176.45 49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 0.0 109.554 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -68.52 135.93 52.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.944 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 6.0 t -145.3 113.02 6.33 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.218 178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 p -75.97 -52.85 9.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.723 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.7 m120 -87.48 55.81 3.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.193 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -46.22 -50.52 15.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.912 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -63.4 -48.91 75.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.667 0.27 . . . . 0.0 111.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -62.81 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.889 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 52.7 mm-40 -59.43 -48.8 80.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.09 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 71.7 m -60.8 -48.13 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 52.6 mtpt -56.72 -40.57 75.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.427 0.632 . . . . 0.0 110.13 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -64.78 -39.33 93.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.287 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.3 mtt180 -83.15 22.41 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.88 44.29 10.3 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.919 -0.657 . . . . 0.0 114.486 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 89.4 m-85 -126.18 155.19 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.402 -0.47 . . . . 0.0 110.102 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.38 -42.77 96.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.205 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.07 -152.69 7.52 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.326 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.92 149.29 14.1 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.431 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -157.36 131.67 8.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.938 0.399 . . . . 0.0 110.357 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 6.0 t -85.51 43.78 1.05 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.247 0.546 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.37 116.0 6.77 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.823 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 p -176.44 176.08 1.68 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.11 114.62 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 21.68 12.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.015 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 50.33 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.698 0.799 . . . . 0.0 112.728 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.721 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.1 p -142.14 -45.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.141 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 78.9 m-20 -79.87 126.56 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.291 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 6.5 t -95.55 111.02 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.579 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.82 124.83 51.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.077 0.465 . . . . 0.0 110.771 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 40.7 m -79.29 135.37 36.73 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.85 112.86 8.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.854 0.359 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.499 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.402 ' HB2' ' HE3' ' A' ' 41' ' ' TRP . 3.0 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HB2' HG21 ' A' ' 44' ' ' THR . 21.8 tptp -151.4 118.63 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.53 121.32 28.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -110.5 -23.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.73 -147.11 10.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.99 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -131.71 135.44 46.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.846 0.355 . . . . 0.0 110.794 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -84.32 30.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.396 0.617 . . . . 0.0 110.446 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -119.3 128.83 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.359 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.91 130.63 44.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.949 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.59 -30.97 9.14 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.659 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 152.07 40.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.563 0.221 . . . . 0.0 110.687 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.63 142.89 15.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.495 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 58.51 55.6 4.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.311 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.88 124.82 16.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.67 0.748 . . . . 0.0 111.536 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.585 ' CG2' ' HG3' ' A' ' 21' ' ' GLU . 4.1 m -103.17 105.74 16.11 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.552 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -56.81 -46.85 81.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 110.795 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 52.5 t30 -154.93 95.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 t -35.07 -58.14 0.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.394 1.059 . . . . 0.0 113.506 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 80.9 ttt180 -56.47 -47.17 79.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 17' ' ' ASN . . . -66.23 -47.47 73.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CG2' ' A' ' 15' ' ' THR . 19.5 mm-40 -55.95 -50.37 70.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.901 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.78 -40.28 96.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.545 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 7.6 mtmp? -65.48 -39.73 92.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -62.13 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.173 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HE ' ' HE2' ' A' ' 27' ' ' TYR . 76.3 mtp85 -65.41 -56.56 11.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 43.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.777 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HE2' ' HE ' ' A' ' 25' ' ' ARG . 97.3 m-85 -116.82 161.3 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 110.49 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -55.24 -44.29 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.66 0.6 . . . . 0.0 110.176 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.45 -153.31 8.16 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.64 143.89 6.61 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.327 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -144.99 133.6 22.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 110.261 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 5.5 t -87.92 129.12 35.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -161.84 -135.21 1.78 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.506 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 67.32 -143.12 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 38' ' ' VAL . 29.5 t80 -62.55 116.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.65 24.07 2.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.424 0.69 . . . . 0.0 112.348 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 77.8 m-20 53.39 43.87 30.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 35' ' ' PHE . 16.5 m -100.21 -33.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.82 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -84.38 129.24 34.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 112.145 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -92.52 121.29 33.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.678 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.402 ' HE3' ' HB2' ' A' ' 1' ' ' ASP . 66.2 m95 -117.87 120.38 37.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.559 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 32.4 m -77.63 138.22 38.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.197 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.03 112.88 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.764 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 2' ' ' LYS . 13.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.617 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 69.9 m-20 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.683 0.278 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -110.34 125.37 53.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.217 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 40' ' ' CYS . 3.2 tm? -88.12 121.93 31.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.8 pt -115.09 -19.36 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.422 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.61 -148.89 8.96 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.533 -0.842 . . . . 0.0 111.975 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 11.9 m -132.16 136.79 47.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 111.051 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.45 42.86 1.11 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.481 0.658 . . . . 0.0 110.087 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.58 HG11 HG23 ' A' ' 38' ' ' VAL . 14.9 p -129.35 131.66 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.097 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t-105 -68.77 119.43 13.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.248 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.9 -43.09 1.31 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.853 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.72 146.68 53.38 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 122.232 0.213 . . . . 0.0 110.957 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.79 33.19 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.981 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -162.66 41.26 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.508 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' HA ' ' O ' ' A' ' 6' ' ' SER . 35.8 t80 -71.01 126.73 30.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.984 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 p -91.09 129.25 37.11 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.186 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -59.82 -38.98 83.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.582 0.706 . . . . 0.0 109.605 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.554 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 28.5 t-20 -156.56 105.8 2.27 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.4 t -48.78 -54.35 15.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.895 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -63.99 -46.81 82.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -61.81 -51.91 66.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -56.98 -46.82 81.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.593 0.235 . . . . 0.0 111.558 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 m -62.55 -43.25 99.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.737 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -58.59 -42.03 87.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 110.443 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 79.5 mtp180 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.455 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.21 29.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.574 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.93 42.75 92.6 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 114.767 0.667 . . . . 0.0 114.767 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 22' ' ' CYS . 76.8 m-85 -117.66 156.74 27.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 117.369 0.585 . . . . 0.0 109.982 178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -60.66 -37.08 80.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.316 0.579 . . . . 0.0 110.568 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . 179.2 -146.37 7.14 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.97 143.7 6.94 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.504 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -132.9 138.39 46.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.11 0.481 . . . . 0.0 111.197 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 49.7 t -93.48 129.28 39.72 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 34' ' ' SER . . . -164.21 -132.21 1.32 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.795 -1.193 . . . . 0.0 113.181 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 34.9 t 69.96 -141.01 0.07 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -81.33 99.29 8.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.637 0.256 . . . . 0.0 110.885 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 57.65 58.5 3.69 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.906 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.623 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 17.0 p30 40.95 52.78 3.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.257 1.023 . . . . 0.0 112.89 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.58 HG23 HG11 ' A' ' 8' ' ' VAL . 11.5 p -97.41 -43.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.637 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.447 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 60.7 m-80 -94.57 138.1 32.88 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HD22 ' A' ' 3' ' ' LEU . 2.8 t -104.86 118.38 36.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.898 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 69.6 m95 -114.87 122.48 46.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.478 . . . . 0.0 111.7 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 27.1 m -75.07 138.58 42.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.929 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 72.3 mm-40 -66.42 118.6 10.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.501 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.847 179.588 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.515 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 60.9 m-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -146.77 128.34 15.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.462 0.172 . . . . 0.0 111.105 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.5 tp -88.66 122.57 32.23 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.1 pt -112.32 -15.69 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.224 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.99 -143.75 7.21 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.321 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 5.6 t -149.4 137.27 20.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.036 0.446 . . . . 0.0 110.253 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 m -84.08 43.64 0.95 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.886 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.52 131.45 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -68.53 135.81 52.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.794 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.88 -32.06 7.02 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.218 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -67.07 141.36 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.403 . . . . 0.0 110.922 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.75 37.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 122.175 0.988 . . . . 0.0 110.522 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -172.61 44.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.424 179.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' SER . 59.8 t80 -73.17 138.72 45.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.3 t -122.7 134.26 54.47 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.415 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -75.31 -26.07 58.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.642 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -158.79 104.69 1.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -55.48 -51.43 67.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.889 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -58.82 -51.27 70.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -57.83 -46.34 84.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.0 111.734 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -60.69 -47.06 87.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.411 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.3 m -65.97 -41.66 90.88 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -60.38 -42.18 95.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.849 -0.16 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 71.2 mtm180 -65.88 -42.52 90.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' A' ' 25' ' ' ARG . 54.6 mtt85 -59.98 -50.52 73.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.73 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.91 41.6 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.231 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.489 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 84.6 m-85 -125.97 152.02 46.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.723 0.296 . . . . 0.0 110.704 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -57.52 -36.91 72.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.543 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.67 -158.13 12.28 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.87 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -171.3 147.44 10.3 Favored Glycine 0 N--CA 1.449 -0.469 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -153.75 142.32 20.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.196 0.498 . . . . 0.0 111.532 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 m -86.76 132.94 33.71 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 37' ' ' ASN . . . -171.53 -142.45 3.69 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.601 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 45.6 m 59.58 -141.29 0.63 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.526 0.33 . . . . 0.0 110.846 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.22 127.32 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 60.98 10.57 2.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.217 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' HA ' ' HA2' ' A' ' 33' ' ' GLY . 9.7 t-20 49.72 47.66 22.61 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.632 0.73 . . . . 0.0 110.504 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.5 m -126.43 -32.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.665 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 34' ' ' SER . 33.6 m-80 -53.53 123.99 13.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 111.448 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' O ' HD12 ' A' ' 3' ' ' LEU . 9.0 t -87.55 108.28 18.97 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.742 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -114.0 118.98 35.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.085 0.469 . . . . 0.0 110.545 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 25.5 m -72.1 135.04 46.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.299 178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -64.65 120.59 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.515 ' HB ' ' HA ' ' A' ' 1' ' ' ASP . 32.2 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.606 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' ' OG1' ' A' ' 44' ' ' THR . 34.1 m-20 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HG2' ' OH ' ' A' ' 27' ' ' TYR . 54.5 tptt -136.08 128.68 30.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 40' ' ' CYS . 23.3 tp -92.32 118.07 30.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.415 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 pt -96.68 -22.93 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.801 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.07 -153.37 14.48 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 119.865 -1.16 . . . . 0.0 113.027 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 6.1 m -132.7 139.04 47.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.137 0.494 . . . . 0.0 111.179 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 22.5 m -88.02 39.97 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' HA ' ' A' ' 38' ' ' VAL . 67.0 t -136.31 129.7 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -67.69 130.96 44.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.06 0.457 . . . . 0.0 110.747 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.32 -45.64 1.11 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -70.66 138.73 50.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.393 -0.404 . . . . 0.0 110.22 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.9 m -75.57 41.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.467 0.651 . . . . 0.0 111.092 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ALA . 17.2 p30 -163.34 35.78 0.09 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.127 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' SER . 49.6 t80 -64.18 125.81 25.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.201 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -95.78 123.67 39.46 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.018 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -70.8 -53.31 15.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 0.0 110.693 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.5 m120 -131.89 75.88 1.67 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.8 t -28.63 -61.49 0.12 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.1 ttt-85 -62.14 -47.7 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.04 98.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.829 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 38.9 mm-40 -59.58 -50.17 74.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.452 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 54.6 m -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 47.6 mtpt -59.86 -40.89 90.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.489 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -60.9 -45.62 93.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.935 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 92.8 mtt180 -70.27 -54.02 14.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.445 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.68 44.44 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.257 -0.973 . . . . 0.0 113.028 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.576 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 83.2 m-85 -130.48 156.78 44.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.62 -40.93 96.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.193 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.57 -153.15 8.31 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.782 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.06 155.44 20.56 Favored Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -151.59 138.12 18.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 0.0 111.919 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.9 m -88.15 125.63 34.71 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.0 -133.28 1.54 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 119.57 -1.3 . . . . 0.0 113.255 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.485 ' CB ' HD22 ' A' ' 39' ' ' ASN . 25.7 m 70.45 -141.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 123.243 0.617 . . . . 0.0 109.613 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -61.69 102.27 0.25 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 68.19 -69.3 0.15 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 124.186 0.929 . . . . 0.0 110.738 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 176.79 112.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.617 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.3 p -164.05 -57.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.485 HD22 ' CB ' ' A' ' 34' ' ' SER . 79.9 m-20 -72.9 132.78 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.978 0.418 . . . . 0.0 111.989 -179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 6.0 t -104.34 103.21 12.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.886 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -99.26 127.55 45.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.937 0.399 . . . . 0.0 110.969 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 55.5 m -86.11 132.12 34.1 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.637 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.04 104.53 0.89 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.806 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.522 ' OG1' ' HA ' ' A' ' 1' ' ' ASP . 12.0 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.658 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.58 0.229 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -125.23 132.72 52.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.873 0.368 . . . . 0.0 110.341 179.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 40' ' ' CYS . 51.6 tp -83.92 124.38 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.873 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.7 pt -106.23 -20.37 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.284 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -178.68 159.18 24.15 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.302 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 9.2 t -77.25 129.05 35.4 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.7 t -86.16 51.56 2.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.587 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 38' ' ' VAL . 10.8 p -137.2 137.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.264 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -65.85 120.98 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.238 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.95 -40.82 1.62 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.525 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.82 139.31 58.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.52 0.2 . . . . 0.0 110.788 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.2 m -78.47 36.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.303 0.573 . . . . 0.0 111.381 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -163.26 34.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.071 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 6' ' ' SER . 9.4 t80 -78.79 118.45 20.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.822 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -110.24 84.81 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.974 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -54.22 -48.85 70.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.701 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -94.58 59.42 2.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.369 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.2 t -45.56 -52.1 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.282 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 13.2 tpt180 -57.04 -49.93 74.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.508 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.97 -46.12 72.25 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' CD ' HH21 ' A' ' 24' ' ' ARG . 4.8 mm-40 -60.07 -46.9 88.01 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 89.9 m -61.08 -45.52 94.39 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.189 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 48.1 mtmt -62.36 -39.64 93.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.984 0.421 . . . . 0.0 110.58 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 HH21 ' CD ' ' A' ' 21' ' ' GLU . 7.7 tmm_? -63.95 -41.77 97.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.809 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.7 mtt180 -68.76 -55.63 10.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.88 44.61 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.397 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.472 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 71.0 m-85 -126.48 156.04 41.33 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -60.94 -48.59 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.113 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.48 -151.78 5.7 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.107 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.618 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . 177.63 151.16 9.0 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -163.03 141.98 8.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.02 0.438 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 93.9 m -84.73 123.19 30.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.601 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.485 ' HA2' ' OD1' ' A' ' 37' ' ' ASN . . . -161.25 -139.71 2.71 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.177 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.627 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 16.8 t 66.17 -149.6 0.21 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.647 0.379 . . . . 0.0 110.095 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 38' ' ' VAL . 31.4 t80 -56.18 117.8 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.351 0.261 . . . . 0.0 111.359 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.46 22.37 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.382 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' OD1' ' HA2' ' A' ' 33' ' ' GLY . 71.9 m-20 54.53 25.45 6.24 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.848 0.459 . . . . 0.0 111.93 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.71 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.1 m -102.58 34.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.165 0.507 . . . . 0.0 111.242 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 50.1 m-80 -140.11 129.85 24.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.415 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.582 ' O ' HD12 ' A' ' 3' ' ' LEU . 3.0 t -91.42 112.19 23.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -112.45 120.91 43.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.618 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 27.7 m -74.25 125.68 28.96 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.53 115.85 4.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.178 0.513 . . . . 0.0 109.768 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.251 -178.261 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -113.75 122.46 47.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 40' ' ' CYS . 32.5 tp -82.27 129.38 34.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.391 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.6 pt -117.43 -18.8 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.302 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.94 -150.37 9.85 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.058 -1.068 . . . . 0.0 113.03 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -113.47 160.51 18.38 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.221 0.534 . . . . 0.0 111.265 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.2 t -128.14 37.31 4.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.62 0.724 . . . . 0.0 109.824 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.89 141.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.678 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -68.67 132.4 46.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.13 -46.1 1.14 Allowed Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.6 140.48 58.87 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.2 35.62 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 121.447 0.641 . . . . 0.0 110.925 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -153.33 26.24 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.459 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -79.34 136.86 37.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.573 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -148.27 128.62 13.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 p -72.82 -45.53 57.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.366 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.873 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 7.2 m120 -81.36 59.85 4.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.2 t -57.51 -53.28 59.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.3 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.638 ' HG2' ' HE3' ' A' ' 23' ' ' LYS . 67.8 ttt180 -63.26 -45.08 93.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.873 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -60.59 -41.83 95.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.59 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -58.28 -48.63 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 111.233 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 55.5 m -63.24 -40.2 96.76 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.638 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 99.0 mttt -64.88 -40.15 94.65 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 HH21 ' CD ' ' A' ' 21' ' ' GLU . 4.7 tmm_? -62.02 -42.26 98.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.677 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 89.0 mtt180 -74.41 -45.87 43.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.88 57.04 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.308 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 97.1 m-85 -134.99 160.17 39.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.981 0.39 . . . . 0.0 110.645 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.75 -39.32 73.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -172.34 -152.78 8.78 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.806 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -168.52 144.06 8.54 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -154.65 147.21 24.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.255 0.55 . . . . 0.0 111.362 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 61.8 m -84.58 121.74 28.05 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -150.47 -142.15 3.5 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 119.879 -1.153 . . . . 0.0 113.325 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 39' ' ' ASN . 80.6 p 56.52 -139.47 0.92 Allowed 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.542 0.737 . . . . 0.0 110.279 -178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.2 t80 -61.39 113.55 2.71 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 47.35 27.74 0.95 Allowed 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.1 m-80 55.56 27.52 10.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.685 0.394 . . . . 0.0 111.883 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 35' ' ' PHE . 17.6 m -90.43 9.8 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.465 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 79.2 m-20 -129.27 138.63 51.75 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.888 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' O ' HD12 ' A' ' 3' ' ' LEU . 19.5 t -90.86 115.0 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -115.35 122.75 46.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.588 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 55.7 m -75.11 134.31 41.33 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.343 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 36.2 mm-40 -64.95 114.51 4.6 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.248 1.019 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.464 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.474 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . 61.2 m-20 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.829 0.347 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.756 ' HE3' ' HA ' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -157.44 101.45 1.86 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 40' ' ' CYS . 15.7 tp -70.92 125.18 26.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.477 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.8 pt -120.76 -14.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.02 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.47 -152.36 10.97 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.516 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 2.7 m -138.14 135.66 35.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 0.0 110.736 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.9 m -84.25 44.33 1.01 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.126 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 p -139.25 135.99 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -66.98 133.9 50.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.62 -41.21 2.12 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.149 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 13' ' ' ASN . . . -64.62 141.43 58.78 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.06 31.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.472 0.653 . . . . 0.0 111.438 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 11' ' ' ALA . 5.9 p30 -165.52 42.97 0.07 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.818 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' SER . 22.6 t80 -64.62 131.41 46.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.427 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.79 122.9 39.81 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.952 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 p -75.1 -43.3 53.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.396 0.617 . . . . 0.0 109.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -133.25 82.59 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.031 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 37.1 t -44.32 -50.61 8.97 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.128 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.12 -50.53 73.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.433 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.44 99.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.695 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.68 -48.46 81.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 68.7 m -63.11 -44.72 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.836 0.35 . . . . 0.0 110.419 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -63.17 -37.33 86.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.399 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.7 tpp85 -62.29 -44.42 96.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.166 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -68.34 -54.04 20.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.025 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.17 44.72 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.549 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 86.3 m-85 -120.36 159.12 25.69 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.93 -43.76 86.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' GLU . . . -168.98 -150.31 6.64 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.16 155.12 18.54 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.017 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -160.76 139.89 10.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 111.119 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.0 m -90.03 125.91 35.57 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.467 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -159.07 -146.3 4.51 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.225 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.731 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 34.7 t 64.87 -143.81 0.24 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 38' ' ' VAL . 26.5 t80 -58.95 119.13 6.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.685 0.279 . . . . 0.0 111.522 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.2 17.44 2.01 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.286 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 75.3 m-20 56.0 32.11 19.27 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.461 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.2 m -97.2 -30.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.433 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.731 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 58.1 m-20 -64.95 125.44 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 111.431 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.9 t -93.65 115.47 27.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.602 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 1' ' ' ASP . 44.9 m95 -115.32 119.51 36.55 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.876 0.37 . . . . 0.0 110.764 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 37.3 m -76.04 138.64 40.99 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HB2' ' N ' ' A' ' 29' ' ' GLY . 33.1 mm-40 -69.16 118.66 12.34 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.862 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -104.65 119.3 38.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -83.13 124.88 30.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 pt -120.89 -20.63 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' HA3' ' HB2' ' A' ' 13' ' ' ASN . . . 174.17 -137.27 3.9 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.632 -1.271 . . . . 0.0 113.597 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -146.37 143.73 29.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.153 0.501 . . . . 0.0 110.764 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 40' ' ' CYS . 8.2 m -85.43 34.32 0.58 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.258 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.652 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.4 t -120.4 136.18 58.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.948 0.404 . . . . 0.0 111.263 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -67.72 132.77 48.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.19 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.1 -38.2 3.32 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.599 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.23 143.02 56.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.627 -0.286 . . . . 0.0 111.012 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 t -80.03 43.43 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.825 0.822 . . . . 0.0 110.054 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 5.0 p30 -178.61 44.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.728 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 16' ' ' SER . 16.8 t80 -61.31 130.53 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.777 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.517 HG22 ' HG3' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -147.87 73.22 1.26 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.627 -179.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 32.3 t -61.22 -50.1 74.44 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.325 0.583 . . . . 0.0 109.583 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 6.0 m120 -87.82 54.38 3.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.6 t -43.2 -52.4 5.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.302 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 40.2 ttm180 -59.05 -48.46 81.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.605 0.24 . . . . 0.0 111.55 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -63.61 -44.43 93.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.758 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 5.1 mm-40 -61.42 -44.19 97.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.087 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 81.1 m -66.2 -37.99 86.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.634 0.254 . . . . 0.0 111.257 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.88 -28.52 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.659 0.266 . . . . 0.0 110.562 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.758 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 76.5 mtp180 -59.55 -46.36 89.11 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.68 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -68.35 -50.13 55.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.54 32.92 0.11 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.425 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.447 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 98.9 m-85 -96.82 153.8 17.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.535 0.207 . . . . 0.0 110.482 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -55.97 -37.45 69.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.954 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.54 -149.34 6.52 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.136 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -172.62 152.39 16.44 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -164.08 143.42 7.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.064 0.432 . . . . 0.0 110.898 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 m -83.39 124.46 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 37' ' ' ASN . . . -151.48 -143.92 3.81 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.822 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.703 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 15.9 t 61.77 -138.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' O ' HG22 ' A' ' 38' ' ' VAL . 38.7 t80 -59.65 116.92 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.33 0.252 . . . . 0.0 111.144 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 48.81 26.81 1.38 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.528 0.731 . . . . 0.0 112.598 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 6.5 m120 53.31 38.51 27.94 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.927 0.491 . . . . 0.0 112.037 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.652 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 17.1 m -101.75 -36.28 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.863 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.703 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 2.6 m120 -63.62 129.87 41.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.469 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 3.2 t -86.23 113.19 22.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 110.601 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -114.7 122.02 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.727 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 55.7 m -72.05 129.4 38.43 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.21 114.91 5.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.735 -177.499 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.608 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 58.1 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.611 0.244 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 41' ' ' TRP . 11.0 mmmm -115.52 128.22 55.84 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 17.6 tp -85.0 85.53 7.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.424 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.7 pt -77.08 -9.32 12.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.29 -145.42 10.71 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.721 -1.228 . . . . 0.0 113.44 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -114.62 156.62 24.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . 45.9 t -122.6 34.53 5.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.474 0.654 . . . . 0.0 109.721 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' ' 38' ' ' VAL . 51.8 t -134.83 136.39 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -59.59 134.71 57.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.691 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 48.13 8.5 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.33 157.13 44.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.542 0.21 . . . . 0.0 110.448 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -70.8 136.3 26.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 62.34 37.69 13.64 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.47 138.84 55.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -146.43 124.3 11.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.0 m -79.4 -46.41 17.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.3 m120 -87.6 59.94 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.145 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.1 t -47.02 -52.24 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.688 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.472 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 36.8 ttm180 -65.22 -46.54 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -58.42 -43.76 88.81 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 63.3 mm-40 -59.36 -44.8 92.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.667 0.27 . . . . 0.0 110.838 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 32.4 m -62.85 -42.73 99.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.17 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -61.13 -42.86 99.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.956 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -61.53 -42.78 99.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.909 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 2.5 mtp-105 -68.95 -49.05 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.616 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.83 46.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.606 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 74.8 m-85 -123.39 154.45 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -61.03 -40.34 93.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.21 -156.41 8.27 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.408 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -174.01 152.83 15.6 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -161.32 141.99 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.557 0.678 . . . . 0.0 111.676 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.3 m -85.07 133.19 34.24 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . -168.01 -137.76 2.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.531 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 39' ' ' ASN . 20.8 t 66.51 -153.4 0.23 Allowed 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' O ' HG22 ' A' ' 38' ' ' VAL . 36.3 t80 -62.76 121.54 13.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.261 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.06 24.73 2.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.505 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 73.6 m-80 54.49 30.31 12.72 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.697 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.632 ' HA ' HG23 ' A' ' 8' ' ' VAL . 14.7 m -87.8 -24.39 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 34' ' ' SER . 79.1 m-20 -96.26 135.82 37.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -98.12 126.79 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 53.2 m95 -125.33 127.86 47.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.577 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 61.2 m -77.6 134.99 38.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.252 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -79.34 75.27 5.93 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.301 -178.501 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -123.01 115.79 22.47 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 40' ' ' CYS . 22.2 tp -80.71 119.97 24.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.339 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.5 pt -105.11 -21.66 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.752 0.31 . . . . 0.0 111.23 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.46 -142.89 7.26 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.437 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -134.07 137.87 44.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.655 0.264 . . . . 0.0 110.846 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 15' ' ' THR . 26.6 p -77.28 -11.77 59.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.224 0.535 . . . . 0.0 110.031 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 38' ' ' VAL . 80.0 t -83.21 133.45 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.589 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -67.47 141.87 56.82 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.26 49.67 14.91 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.691 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -130.56 26.25 5.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.455 0.169 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER 56.16 17.95 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.552 1.141 . . . . 0.0 112.72 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -176.45 49.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 0.0 109.554 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -68.52 135.93 52.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.944 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 6.0 t -145.3 113.02 6.33 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.218 178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 p -75.97 -52.85 9.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.071 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.723 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 6.7 m120 -87.48 55.81 3.68 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.193 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -46.22 -50.52 15.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.912 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -63.4 -48.91 75.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.667 0.27 . . . . 0.0 111.423 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -62.81 -42.68 99.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.889 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 52.7 mm-40 -59.43 -48.8 80.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.09 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 71.7 m -60.8 -48.13 83.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 52.6 mtpt -56.72 -40.57 75.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.427 0.632 . . . . 0.0 110.13 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -64.78 -39.33 93.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.287 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.3 mtt180 -83.15 22.41 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.88 44.29 10.3 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.919 -0.657 . . . . 0.0 114.486 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 23' ' ' LYS . 89.4 m-85 -126.18 155.19 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 122.402 -0.47 . . . . 0.0 110.102 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -60.38 -42.77 96.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.205 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -167.07 -152.69 7.52 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.326 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -167.92 149.29 14.1 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.431 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -157.36 131.67 8.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.938 0.399 . . . . 0.0 110.357 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 6.0 t -85.51 43.78 1.05 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.247 0.546 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.37 116.0 6.77 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.823 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 p -176.44 176.08 1.68 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.11 114.62 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 64.21 21.68 12.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.015 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 50.33 95.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.698 0.799 . . . . 0.0 112.728 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.721 ' HA ' HG23 ' A' ' 8' ' ' VAL . 2.1 p -142.14 -45.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.141 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 78.9 m-20 -79.87 126.56 31.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.291 . . . . 0.0 110.737 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 6.5 t -95.55 111.02 23.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.579 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.82 124.83 51.23 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.077 0.465 . . . . 0.0 110.771 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 22' ' ' CYS . 40.7 m -79.29 135.37 36.73 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -71.85 112.86 8.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.854 0.359 . . . . 0.0 110.037 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.499 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' HB2' ' HE3' ' A' ' 41' ' ' TRP . 3.0 p30 . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HB2' HG21 ' A' ' 44' ' ' THR . 21.8 tptp -151.4 118.63 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -85.53 121.32 28.06 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 pt -110.5 -23.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.73 -147.11 10.58 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.185 -1.007 . . . . 0.0 112.99 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -131.71 135.44 46.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.846 0.355 . . . . 0.0 110.794 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -84.32 30.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.396 0.617 . . . . 0.0 110.446 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.7 t -119.3 128.83 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.359 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -63.91 130.63 44.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.949 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.59 -30.97 9.14 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.659 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.98 152.07 40.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.563 0.221 . . . . 0.0 110.687 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -61.63 142.89 15.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.495 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 58.51 55.6 4.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.311 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -53.88 124.82 16.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.67 0.748 . . . . 0.0 111.536 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.585 ' CG2' ' HG3' ' A' ' 21' ' ' GLU . 4.1 m -103.17 105.74 16.11 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.552 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -56.81 -46.85 81.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.101 0.477 . . . . 0.0 110.795 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 52.5 t30 -154.93 95.85 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 t -35.07 -58.14 0.54 Allowed 'General case' 0 N--CA 1.468 0.459 0 O-C-N 124.394 1.059 . . . . 0.0 113.506 -177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 23' ' ' LYS . 80.9 ttt180 -56.47 -47.17 79.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.595 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' HD22 ' A' ' 17' ' ' ASN . . . -66.23 -47.47 73.68 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CG2' ' A' ' 15' ' ' THR . 19.5 mm-40 -55.95 -50.37 70.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.901 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.5 m -62.78 -40.28 96.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.545 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 7.6 mtmp? -65.48 -39.73 92.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.6 ttp180 -62.13 -43.28 99.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.173 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.562 ' HE ' ' HE2' ' A' ' 27' ' ' TYR . 76.3 mtp85 -65.41 -56.56 11.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.241 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.48 43.13 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.777 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' HE2' ' HE ' ' A' ' 25' ' ' ARG . 97.3 m-85 -116.82 161.3 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 110.49 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -55.24 -44.29 75.35 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.66 0.6 . . . . 0.0 110.176 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.45 -153.31 8.16 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 42' ' ' CYS . . . -176.64 143.89 6.61 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.327 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -144.99 133.6 22.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.964 0.411 . . . . 0.0 110.261 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 5.5 t -87.92 129.12 35.33 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' C ' ' HA ' ' A' ' 37' ' ' ASN . . . -161.84 -135.21 1.78 Allowed Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.506 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 67.32 -143.12 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 38' ' ' VAL . 29.5 t80 -62.55 116.98 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 52.65 24.07 2.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.424 0.69 . . . . 0.0 112.348 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' C ' ' A' ' 33' ' ' GLY . 77.8 m-20 53.39 43.87 30.79 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.682 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 35' ' ' PHE . 16.5 m -100.21 -33.41 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.82 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -84.38 129.24 34.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 112.145 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.6 t -92.52 121.29 33.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.678 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.402 ' HE3' ' HB2' ' A' ' 1' ' ' ASP . 66.2 m95 -117.87 120.38 37.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.559 ' HA ' ' HA2' ' A' ' 30' ' ' GLY . 32.4 m -77.63 138.22 38.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.197 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -70.03 112.88 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.764 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 2' ' ' LYS . 13.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.617 -179.511 . . . . . . . . 1 1 . 1 stop_ save_