data_1cfi_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 1cfi _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 121.762 0.792 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.03 67.27 0.97 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.241 1.019 . . . . 0.0 111.13 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -63.17 -29.21 70.61 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.291 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.97 62.32 0.97 Allowed Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.023 0.79 . . . . 0.0 111.171 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -134.9 -90.39 0.33 Allowed 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.956 -0.732 . . . . 0.0 111.137 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.319 -0.747 0 CA-C-O 122.279 1.037 . . . . 0.0 111.537 -174.648 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 C--O 1.243 0.729 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.33 177.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 122.294 1.045 . . . . 0.0 110.519 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -71.95 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.599 0.714 . . . . 0.0 109.797 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.78 103.41 0.91 Allowed Glycine 0 C--N 1.318 -0.466 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -138.29 104.53 5.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.427 1.108 . . . . 0.0 110.781 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.523 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 5.8 t . . . . . 0 C--O 1.257 1.477 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.964 0.888 . . . . 0.0 109.642 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.664 0 CA-C-O 121.472 0.653 . . . . 0.0 111.05 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER 175.77 145.27 0.07 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 125.191 2.424 . . . . 0.0 115.368 -165.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -92.59 161.32 14.64 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.596 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.49 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 42.3 t80 . . . . . 0 C--N 1.319 -0.745 0 CA-C-O 121.979 0.895 . . . . 0.0 110.35 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 122.028 0.918 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.207 0 N-CA-C 115.473 1.656 . . . . 0.0 115.473 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 124.658 2.171 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 124.633 2.158 . . . . 0.0 109.27 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.251 1.134 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -170.359 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 . . . . . 0 C--O 1.245 0.866 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.49 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -89.51 -24.22 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.572 -170.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.316 -0.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 176.579 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.0 t-105 -76.2 -27.54 56.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.705 1.24 . . . . 0.0 110.558 -172.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 13.36 4.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.2 14.91 4.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.049 0.928 . . . . 0.0 110.579 169.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 3.2 t80 -137.93 -9.28 1.57 Allowed 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 p -98.78 -142.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 O-C-N 120.652 -1.28 . . . . 0.0 110.132 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.058 0.932 . . . . 0.0 110.883 -179.484 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 16.9 t80 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 122.116 0.96 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.496 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.6 t-20 -91.29 83.12 5.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.417 1.103 . . . . 0.0 110.975 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -84.66 3.88 35.05 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.909 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.47 33.96 8.97 Favored Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.444 -0.785 . . . . 0.0 111.736 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -89.57 -87.73 0.17 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.925 -0.75 . . . . 0.0 110.931 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 122.483 1.135 . . . . 0.0 110.862 -175.206 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 C--O 1.247 0.934 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.58 173.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 122.353 1.073 . . . . 0.0 110.686 -174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.79 16.92 0.61 Allowed 'General case' 0 C--O 1.248 0.998 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 123.01 1.5 Allowed Glycine 0 N--CA 1.464 0.515 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -157.49 95.62 1.47 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.893 0.854 . . . . 0.0 111.265 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.357 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 CA--C 1.508 -0.662 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mmt . . . . . 0 C--O 1.244 0.788 0 O-C-N 121.45 -0.781 . . . . 0.0 111.507 -173.186 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt . . . . . 0 C--O 1.241 0.616 0 CA-C-O 121.4 0.619 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 176.92 137.95 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 124.387 2.042 . . . . 0.0 115.594 -169.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p -94.48 165.43 12.55 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 120.708 -1.245 . . . . 0.0 110.201 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 55.0 t80 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.851 0.834 . . . . 0.0 110.501 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.524 0.678 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 . . . . . 0 C--O 1.256 1.428 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -176.538 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--O 1.236 0.357 0 CA-C-O 124.663 2.173 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.829 0 CA-C-O 125.085 2.374 . . . . 0.0 108.3 -170.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.851 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.254 1.341 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -170.112 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 . . . . . 0 C--O 1.246 0.87 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.445 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.0 t -91.6 -24.91 19.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.893 -169.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.317 -0.816 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 174.609 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 121.172 0.511 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 5.8 t-105 -75.74 -29.68 58.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.755 1.264 . . . . 0.0 110.335 -173.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 7.13 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.42 1.105 . . . . 0.0 113.365 -174.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.86 -29.34 6.05 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.062 0.934 . . . . 0.0 111.324 170.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 28.6 t80 -92.19 -14.52 28.92 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 p -87.09 -147.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.454 -0.779 . . . . 0.0 109.847 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.27 2.172 0 CA-C-O 121.868 0.842 . . . . 0.0 110.88 -173.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.72 0.771 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.69 47.13 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.327 1.061 . . . . 0.0 111.144 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.69 -30.49 59.37 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.515 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 33.81 6.09 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 -89.65 0.3 Allowed 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.487 -1.008 . . . . 0.0 111.243 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 122.558 1.17 . . . . 0.0 111.054 -172.244 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 121.648 0.737 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.05 177.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.475 1.131 . . . . 0.0 110.282 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -70.46 -165.34 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 123.331 1.539 . . . . 0.0 109.857 -172.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.53 95.32 1.02 Allowed Glycine 0 C--N 1.319 -0.404 0 CA-C-O 122.878 1.266 . . . . 0.0 110.062 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -146.82 111.56 5.3 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.495 1.141 . . . . 0.0 110.325 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t . . . . . 0 C--O 1.246 0.884 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.46 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 mmt . . . . . 0 C--O 1.245 0.851 0 O-C-N 121.813 -0.554 . . . . 0.0 111.662 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 121.979 0.895 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 172.12 142.88 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 124.533 2.111 . . . . 0.0 115.005 -166.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -92.79 155.81 17.42 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.524 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.318 -0.774 0 CA-C-O 122.307 1.051 . . . . 0.0 110.506 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 C--O 1.236 0.343 0 CA-C-O 124.837 2.256 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 124.848 2.261 . . . . 0.0 108.154 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.838 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -170.43 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 . . . . . 0 C--O 1.244 0.791 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 25' ' ' PHE . 3.1 t -87.25 -24.96 24.21 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.745 -172.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 173.35 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.236 0.363 0 CA-C-O 122.132 0.968 . . . . 0.0 109.383 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.659 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.2 t-105 -78.24 -30.11 48.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.125 0.964 . . . . 0.0 111.314 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -7.71 54.65 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.792 1.758 . . . . 0.0 112.385 -171.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -28.08 11.88 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.486 170.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.5 t80 -91.19 -4.09 56.41 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -120.03 -142.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 O-C-N 121.028 -1.045 . . . . 0.0 109.529 -172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.4 t0 . . . . . 0 C--O 1.271 2.227 0 O-C-N 121.196 -0.94 . . . . 0.0 111.203 176.713 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.683 0.754 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -89.12 85.93 6.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.489 1.138 . . . . 0.0 112.445 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -86.81 -29.05 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.966 0.889 . . . . 0.0 110.5 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.56 29.17 24.99 Favored Glycine 0 C--O 1.243 0.66 0 O-C-N 121.807 -0.558 . . . . 0.0 113.378 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -115.72 -93.35 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.662 -0.905 . . . . 0.0 112.698 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.98 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 1.1 m-30 . . . . . 0 C--O 1.245 0.837 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.23 173.5 3.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.319 1.057 . . . . 0.0 110.828 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.95 -140.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.954 0.883 . . . . 0.0 110.209 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.6 101.68 0.71 Allowed Glycine 0 C--N 1.319 -0.398 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.235 1.017 . . . . 0.0 111.243 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.534 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t . . . . . 0 C--O 1.247 0.962 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 122.606 1.193 . . . . 0.0 109.328 -174.03 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 121.509 0.671 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 172.83 136.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 123.858 1.789 . . . . 0.0 115.044 -169.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 p -93.6 165.74 12.58 Favored 'General case' 0 C--O 1.243 0.732 0 O-C-N 121.1 -1.0 . . . . 0.0 110.084 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 t80 . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.019 171.176 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 . . . . . 0 C--O 1.254 1.337 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 174.268 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 124.683 2.182 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 125.714 2.673 . . . . 0.0 108.527 -171.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.255 1.359 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -170.682 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 121.124 0.488 . . . . 0.0 111.716 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 t -85.83 -26.64 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.317 -0.84 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 173.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.241 0.653 0 CA-C-O 121.232 0.539 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t-105 -76.65 -21.26 55.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.114 0.959 . . . . 0.0 111.065 -172.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 11.52 4.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.79 32.04 2.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 122.652 1.215 . . . . 0.0 109.76 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 73.6 t80 -145.41 -44.78 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.879 -173.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -7.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -174.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OXT' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.185 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.324 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 121.358 0.599 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.16 90.14 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.216 1.008 . . . . 0.0 112.237 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.13 -29.72 21.6 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.337 0.589 . . . . 0.0 111.245 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.12 42.91 2.7 Favored Glycine 0 C--O 1.243 0.708 0 O-C-N 121.543 -0.723 . . . . 0.0 113.705 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -79.69 0.34 Allowed 'General case' 0 C--O 1.244 0.766 0 O-C-N 121.766 -0.843 . . . . 0.0 111.064 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 O-C-N 121.579 -0.701 . . . . 0.0 112.034 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 C--O 1.242 0.687 0 CA-C-O 121.501 0.667 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.76 174.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.247 1.022 . . . . 0.0 110.49 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.2 19.7 0.31 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -173.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.94 109.28 0.02 OUTLIER Glycine 0 C--N 1.317 -0.493 0 CA-C-O 122.489 1.05 . . . . 0.0 111.177 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.2 104.59 3.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.422 1.106 . . . . 0.0 110.496 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' CYS . 38.5 mt . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 -173.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' LEU . 7.6 t . . . . . 0 C--O 1.246 0.896 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.4 mmt . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 122.872 1.32 . . . . 0.0 109.228 -175.172 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 CA-C-O 121.415 0.626 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.53 142.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 124.462 2.077 . . . . 0.0 114.216 -166.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.485 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 19.7 p -91.84 164.47 13.67 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.33 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CZ ' ' OG1' ' A' ' 39' ' ' THR . 40.4 t80 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.786 0.803 . . . . 0.0 110.225 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 C--O 1.234 0.277 0 CA-C-O 124.859 2.266 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 126.474 3.035 . . . . 0.0 108.7 -170.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.254 1.305 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -170.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 . . . . . 0 C--O 1.247 0.942 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 3.2 t -88.02 -26.17 22.73 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.096 -172.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 91.2 m . . . . . 0 C--N 1.318 -0.79 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 121.75 0.786 . . . . 0.0 109.855 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 15.9 t-105 -76.21 -22.68 54.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.602 1.667 . . . . 0.0 110.352 -174.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 13.23 0.99 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 173.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -131.69 4.5 4.24 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.411 0.684 . . . . 0.0 112.141 171.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 40.3 t80 -119.08 -34.9 3.75 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.383 -0.823 . . . . 0.0 112.331 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -77.39 1.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.475 1.131 . . . . 0.0 113.613 -175.137 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.272 2.259 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.794 0.807 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -85.0 88.91 7.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.459 1.123 . . . . 0.0 111.739 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -86.97 -28.12 22.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.609 0.718 . . . . 0.0 111.223 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.58 36.7 42.66 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 121.795 0.664 . . . . 0.0 111.607 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.32 -88.08 0.29 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.004 -0.704 . . . . 0.0 111.077 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 122.25 1.024 . . . . 0.0 110.848 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.32 1.057 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.82 -7.23 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 123.545 1.641 . . . . 0.0 113.96 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.86 135.4 0.65 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 123.768 1.747 . . . . 0.0 111.485 175.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 31' ' ' VAL . . . 125.95 17.23 2.55 Favored Glycine 0 C--O 1.238 0.398 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.943 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -129.65 101.31 5.86 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.308 1.051 . . . . 0.0 110.86 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 111.683 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.484 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.5 t . . . . . 0 CA--C 1.507 -0.685 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.812 0 CA-C-O 121.783 0.801 . . . . 0.0 112.088 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 122.285 1.04 . . . . 0.0 112.619 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.49 134.75 0.04 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 123.481 1.61 . . . . 0.0 114.197 -170.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -93.05 164.57 13.22 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.358 170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.407 ' CE2' ' CG2' ' A' ' 38' ' ' THR . 40.6 t80 . . . . . 0 C--N 1.314 -0.959 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 121.342 0.592 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -178.272 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG1' ' C ' ' A' ' 12' ' ' GLY . 14.6 t . . . . . 0 C--O 1.236 0.382 0 CA-C-O 124.776 2.226 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 125.234 2.445 . . . . 0.0 108.734 -170.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--O 1.242 0.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.251 1.141 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -170.221 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 . . . . . 0 C--O 1.244 0.793 0 CA-C-O 121.018 0.437 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -89.76 -20.77 23.15 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.436 -169.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 121.156 0.503 . . . . 0.0 112.068 173.165 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 121.807 0.813 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -77.35 -22.43 51.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.536 1.636 . . . . 0.0 110.638 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.62 8.29 3.05 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -133.04 32.6 3.74 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 123.469 1.604 . . . . 0.0 108.506 170.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 86.9 t80 -179.67 71.71 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.398 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.54 -150.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 121.523 -0.736 . . . . 0.0 109.874 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.269 2.124 0 CA-C-O 122.038 0.923 . . . . 0.0 111.396 -174.345 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.345 1.069 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -103.85 76.33 1.36 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.708 1.242 . . . . 0.0 110.315 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.43 -34.19 60.97 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.391 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.38 70.41 1.07 Allowed Glycine 0 CA--C 1.508 -0.346 0 CA-C-O 122.15 0.861 . . . . 0.0 112.283 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -130.28 -89.6 0.48 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.818 -0.813 . . . . 0.0 111.084 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.245 0.84 0 O-C-N 121.601 -0.687 . . . . 0.0 112.827 176.65 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--O 1.237 0.408 0 CA-C-O 123.041 1.401 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -94.09 -2.66 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.09 15.81 0.08 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.11 65.86 0.67 Allowed Glycine 0 C--N 1.318 -0.465 0 CA-C-O 122.831 1.239 . . . . 0.0 111.717 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -161.8 116.19 1.93 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.809 -0.696 . . . . 0.0 110.445 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 121.59 0.71 . . . . 0.0 112.641 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.7 t . . . . . 0 C--O 1.256 1.437 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.427 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.743 0 O-C-N 120.235 -1.54 . . . . 0.0 110.336 -176.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--O 1.235 0.327 0 CA-C-O 124.174 1.94 . . . . 0.0 114.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.67 142.46 1.58 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.843 1.782 . . . . 0.0 113.45 -166.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 p -92.22 160.3 15.23 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.114 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.318 -0.762 0 CA-C-O 121.974 0.892 . . . . 0.0 110.086 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 121.418 0.627 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 124.833 2.254 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 125.036 2.35 . . . . 0.0 108.609 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 C--O 1.244 0.795 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.252 1.226 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.659 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.465 ' CG2' ' CZ ' ' A' ' 25' ' ' PHE . 3.2 t -85.85 -28.65 24.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.169 -172.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 174.334 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.584 0 CA-C-O 121.414 0.626 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CH2' ' N ' ' A' ' 25' ' ' PHE . 12.5 t-105 -76.74 -25.27 53.3 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.891 1.805 . . . . 0.0 110.009 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 11.79 3.72 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.008 -1.057 . . . . 0.0 113.501 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.3 27.29 3.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.276 1.036 . . . . 0.0 110.193 171.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.491 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 32.2 t80 -155.43 14.54 0.37 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.204 1.002 . . . . 0.0 112.417 -173.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.3 -150.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.778 0 O-C-N 120.6 -1.312 . . . . 0.0 109.612 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.057 0.932 . . . . 0.0 111.085 -174.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.7 0.762 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -128.76 67.04 1.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.488 1.137 . . . . 0.0 110.641 -173.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -59.25 -25.97 64.51 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.363 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.0 40.93 93.44 Favored Glycine 0 C--N 1.319 -0.395 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -82.5 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.029 -0.689 . . . . 0.0 111.065 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 1.2 pt? . . . . . 0 C--O 1.243 0.758 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.94 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.7 168.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 123.383 1.563 . . . . 0.0 111.444 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 12' ' ' GLY . 56.3 mt-30 -77.11 93.95 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 124.191 0.996 . . . . 0.0 113.035 -172.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 11' ' ' GLN . . . -1.53 98.19 0.01 OUTLIER Glycine 0 C--N 1.316 -0.54 0 C-N-CA 125.476 1.512 . . . . 0.0 113.175 169.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -153.19 117.16 4.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.272 1.034 . . . . 0.0 109.95 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.706 -173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t . . . . . 0 CA--C 1.508 -0.668 0 CA-C-O 121.487 0.661 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.3 mmt . . . . . 0 C--O 1.245 0.863 0 O-C-N 121.779 -0.576 . . . . 0.0 112.477 174.008 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 121.544 0.688 . . . . 0.0 112.733 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.472 ' N ' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 171.48 145.79 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 124.868 2.27 . . . . 0.0 114.347 -166.109 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -92.67 156.16 17.25 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 114.117 -1.402 . . . . 0.0 110.172 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.3 t80 . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 122.029 0.919 . . . . 0.0 110.685 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.257 1.45 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.824 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t . . . . . 0 C--O 1.234 0.283 0 CA-C-O 124.752 2.215 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.833 0 CA-C-O 125.25 2.452 . . . . 0.0 108.064 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.926 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.101 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 120.904 0.383 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 t -88.4 -25.14 22.84 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.381 -171.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 173.178 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 121.723 0.773 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.67 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.2 t-105 -76.77 -26.58 54.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.349 1.071 . . . . 0.0 111.131 -173.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -16.73 63.28 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.503 1.62 . . . . 0.0 113.397 -174.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -114.12 34.93 4.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.38 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.67 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.2 t80 -148.99 -70.28 0.21 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.097 0.951 . . . . 0.0 110.71 -174.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 13.67 123.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 C-N-CA 129.068 2.947 . . . . 0.0 117.038 171.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.27 2.17 0 O-C-N 120.446 -1.409 . . . . 0.0 110.964 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 43.5 p90 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 121.638 0.733 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.0 t-20 -173.24 77.69 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.968 0.89 . . . . 0.0 111.677 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -87.38 -31.39 20.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 0.0 110.917 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.03 29.65 40.97 Favored Glycine 0 C--O 1.241 0.551 0 CA-C-O 121.667 0.593 . . . . 0.0 113.013 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -96.07 -88.42 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.665 -0.903 . . . . 0.0 110.921 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 122.776 1.274 . . . . 0.0 110.935 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.783 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.26 -177.37 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-O 122.072 0.939 . . . . 0.0 110.234 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.23 14.2 0.78 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.68 97.78 0.01 OUTLIER Glycine 0 C--N 1.317 -0.498 0 CA-C-O 122.534 1.074 . . . . 0.0 110.752 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -150.8 95.24 2.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.026 0.917 . . . . 0.0 110.704 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.74 0.781 . . . . 0.0 110.805 -175.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 9.6 t . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 122.926 1.346 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.846 0 CA-C-O 123.468 1.604 . . . . 0.0 110.883 -172.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.063 0.458 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.52 135.54 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 124.133 1.92 . . . . 0.0 115.057 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.9 p -94.28 153.61 17.94 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.601 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 70.1 t80 . . . . . 0 C--N 1.312 -1.05 0 CA-C-O 123.968 1.842 . . . . 0.0 107.145 168.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 121.208 0.528 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 O-C-N 121.008 -1.058 . . . . 0.0 113.4 -172.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.235 0.322 0 CA-C-O 124.244 1.973 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 126.403 3.001 . . . . 0.0 108.967 170.037 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.25 1.121 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -178.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 121.539 0.685 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.3 t -87.96 -17.17 31.87 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -166.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.624 0.726 . . . . 0.0 110.584 171.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.686 0.755 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 11.4 t-105 -77.23 -23.79 51.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 123.102 1.43 . . . . 0.0 110.754 -171.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.23 14.95 2.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.171 0.986 . . . . 0.0 113.601 175.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -138.93 18.3 2.64 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.907 0.861 . . . . 0.0 110.632 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 11.9 t80 -138.26 -3.19 1.77 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -99.52 -140.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.922 -1.111 . . . . 0.0 109.611 -172.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--O 1.271 2.205 0 CA-C-O 121.92 0.867 . . . . 0.0 111.055 175.39 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.407 ' CG ' ' O ' ' A' ' 1' ' ' TYR . 2.6 p90 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 123.167 1.461 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.88 51.22 17.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.276 1.036 . . . . 0.0 111.891 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -66.95 -32.71 74.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.748 0.785 . . . . 0.0 112.202 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 47.33 3.45 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -116.98 -91.56 0.54 Allowed 'General case' 0 C--O 1.244 0.787 0 O-C-N 122.0 -0.706 . . . . 0.0 111.007 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.318 -0.764 0 O-C-N 121.408 -0.808 . . . . 0.0 112.795 -175.079 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.711 0 CA-C-O 121.36 0.6 . . . . 0.0 112.194 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.15 172.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 122.308 1.052 . . . . 0.0 110.58 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -72.89 -139.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.304 1.05 . . . . 0.0 110.34 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.08 97.86 0.99 Allowed Glycine 0 C--N 1.318 -0.432 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.29 99.14 4.59 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.252 1.025 . . . . 0.0 111.04 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -174.353 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 11.5 t . . . . . 0 C--O 1.246 0.883 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 29.6 mmt . . . . . 0 C--O 1.241 0.614 0 O-C-N 121.069 -1.019 . . . . 0.0 111.089 -171.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt . . . . . 0 CA--C 1.512 -0.517 0 CA-C-O 121.397 0.618 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 169.49 141.06 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 123.847 1.785 . . . . 0.0 113.75 -167.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 10.3 p -93.21 165.14 12.96 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.095 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 55.9 t80 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.797 0.808 . . . . 0.0 110.643 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.316 0.579 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.28 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.236 0.375 0 CA-C-O 124.463 2.077 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.316 -0.864 0 CA-C-O 125.78 2.705 . . . . 0.0 107.782 -170.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.256 1.427 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.393 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -85.67 -28.75 24.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.286 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.246 0.877 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 174.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.707 0 CA-C-O 121.264 0.554 . . . . 0.0 110.52 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.45 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 12.7 t-105 -76.31 -25.86 55.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.993 0.901 . . . . 0.0 110.613 -172.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.34 12.42 2.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -118.31 -37.79 3.29 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.403 1.097 . . . . 0.0 110.464 171.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 23.1 t80 -80.18 -23.89 40.7 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.32 -136.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.423 -0.798 . . . . 0.0 108.974 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.27 2.159 0 CA-C-O 121.98 0.895 . . . . 0.0 110.974 174.182 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 36.9 p90 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.543 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 8.8 t-20 -178.8 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.072 0.939 . . . . 0.0 111.085 -173.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -33.87 18.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.78 0.8 . . . . 0.0 111.122 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.69 23.0 8.54 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 121.727 -0.608 . . . . 0.0 112.759 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.6 -72.53 0.22 Allowed 'General case' 0 C--O 1.245 0.817 0 O-C-N 121.633 -0.922 . . . . 0.0 110.895 -178.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 122.409 1.099 . . . . 0.0 110.631 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.67 172.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.491 1.138 . . . . 0.0 110.932 -173.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.0 14.33 1.16 Allowed 'General case' 0 C--O 1.246 0.899 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -173.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.24 115.7 0.08 OUTLIER Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -174.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -146.7 108.25 4.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.89 0.852 . . . . 0.0 110.685 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.729 0.776 . . . . 0.0 111.847 -173.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 6.2 t . . . . . 0 C--O 1.247 0.948 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.401 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 tpp . . . . . 0 C--N 1.318 -0.781 0 O-C-N 120.92 -1.113 . . . . 0.0 112.905 -170.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 121.457 0.646 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.07 143.48 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.77 2.7 . . . . 0.0 115.082 -166.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.0 p -92.79 154.25 18.39 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.914 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.448 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 5.4 t80 . . . . . 0 C--N 1.318 -0.765 0 O-C-N 121.409 -0.807 . . . . 0.0 111.647 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.624 0 CA-C-O 122.778 1.275 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.314 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 124.289 1.995 . . . . 0.0 108.55 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.559 0 CA-C-O 125.296 2.474 . . . . 0.0 108.895 172.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.255 1.379 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -172.244 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 . . . . . 0 C--O 1.242 0.685 0 CA-C-O 120.668 0.271 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' CG2' ' CZ ' ' A' ' 25' ' ' PHE . 4.2 t -86.16 -30.85 22.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.215 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 174.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.244 0.777 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.652 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 4.7 t-105 -76.57 -29.56 56.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.236 1.493 . . . . 0.0 110.226 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 14.09 4.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 122.228 1.013 . . . . 0.0 113.613 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -134.84 17.81 3.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.443 1.116 . . . . 0.0 109.879 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 2.1 t80 -139.51 -16.83 1.02 Allowed 'General case' 0 C--O 1.252 1.212 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.82 -139.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 O-C-N 120.691 -1.255 . . . . 0.0 109.399 -172.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 C--O 1.27 2.168 0 CA-C-O 122.037 0.922 . . . . 0.0 111.005 175.281 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 121.953 0.883 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -171.39 71.56 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.52 1.152 . . . . 0.0 110.732 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -55.2 -28.58 54.05 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.648 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.78 29.71 20.22 Favored Glycine 0 C--O 1.24 0.488 0 O-C-N 121.586 -0.696 . . . . 0.0 112.729 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -87.24 -85.8 0.16 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.708 -0.878 . . . . 0.0 111.27 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.269 1.033 . . . . 0.0 111.139 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -97.22 173.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.586 1.184 . . . . 0.0 110.972 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -78.08 19.89 0.4 Allowed 'General case' 0 C--O 1.25 1.086 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.68 0.33 Allowed Glycine 0 C--N 1.318 -0.442 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -146.07 106.33 4.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.153 0.978 . . . . 0.0 110.582 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.721 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 6.4 t . . . . . 0 C--O 1.259 1.58 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 122.311 1.053 . . . . 0.0 109.431 -173.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.66 0 CA-C-O 121.243 0.544 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER 175.46 143.47 0.06 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.823 2.249 . . . . 0.0 115.85 -166.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 p -93.85 152.7 18.71 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.982 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 54.5 t80 . . . . . 0 C--N 1.317 -0.806 0 O-C-N 121.575 -0.703 . . . . 0.0 111.717 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.299 1.047 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 . . . . . 0 C--O 1.252 1.215 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -174.424 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 124.092 1.901 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 125.351 2.5 . . . . 0.0 108.733 172.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -170.689 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.792 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.494 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.4 t -88.53 -24.75 22.84 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.966 -0.693 . . . . 0.0 111.808 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--N 1.317 -0.816 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 175.184 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 CA-C-O 121.661 0.743 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 9.6 t-105 -76.69 -29.83 56.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.224 1.011 . . . . 0.0 111.048 -171.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -22.28 64.51 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 124.05 1.881 . . . . 0.0 112.72 -173.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -94.0 -28.11 15.95 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.864 173.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 45.2 t80 -86.73 -11.0 52.4 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 p -95.93 -148.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.41 -0.806 . . . . 0.0 109.357 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--O 1.27 2.142 0 CA-C-O 122.106 0.955 . . . . 0.0 110.967 -174.476 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.226 0.536 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 49.86 59.25 4.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.283 1.039 . . . . 0.0 112.019 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -59.57 -32.55 70.47 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.649 0.738 . . . . 0.0 111.657 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 28.62 66.48 Favored Glycine 0 C--O 1.24 0.482 0 O-C-N 121.706 -0.621 . . . . 0.0 112.021 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -105.73 0.17 Allowed 'General case' 0 C--O 1.25 1.128 0 O-C-N 121.81 -0.818 . . . . 0.0 110.499 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 O-C-N 121.048 -1.033 . . . . 0.0 111.313 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 121.726 0.774 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -82.67 171.18 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 123.028 1.394 . . . . 0.0 110.937 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -156.68 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.929 1.347 . . . . 0.0 110.185 -172.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' CA ' ' CG1' ' A' ' 31' ' ' VAL . . . -98.0 95.86 1.7 Allowed Glycine 0 C--N 1.319 -0.393 0 CA-C-O 122.778 1.21 . . . . 0.0 110.603 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -145.93 103.14 3.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.37 0.605 . . . . 0.0 110.274 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.144 0.497 . . . . 0.0 111.798 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 8.6 t . . . . . 0 CA--C 1.506 -0.731 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.487 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 23.3 mmt . . . . . 0 C--O 1.243 0.737 0 O-C-N 121.695 -0.628 . . . . 0.0 111.139 -173.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt . . . . . 0 C--O 1.242 0.659 0 CA-C-O 121.272 0.558 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.1 138.56 0.2 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 124.394 2.045 . . . . 0.0 115.916 -167.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -94.55 164.11 13.12 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 110.114 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 62.2 t80 . . . . . 0 C--N 1.319 -0.739 0 O-C-N 121.455 -0.778 . . . . 0.0 110.778 171.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 122.849 1.309 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.108 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' CG1' ' CA ' ' A' ' 12' ' ' GLY . 43.0 t . . . . . 0 C--O 1.234 0.262 0 CA-C-O 124.153 1.93 . . . . 0.0 108.78 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 125.183 2.42 . . . . 0.0 108.879 173.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.254 1.294 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -170.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--O 1.244 0.796 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.543 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -87.28 -23.9 24.52 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.839 -0.744 . . . . 0.0 111.36 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--O 1.246 0.893 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 175.665 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.449 0.642 . . . . 0.0 110.442 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t-105 -76.15 -19.53 58.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.391 0.615 . . . . 0.0 112.097 -172.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -21.67 58.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.483 1.611 . . . . 0.0 113.158 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.44 17.16 23.42 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.307 -1.77 . . . . 0.0 112.122 174.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 33.7 t80 -138.15 -8.71 1.54 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 p -98.94 -149.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 120.977 -1.077 . . . . 0.0 109.989 -171.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.271 2.203 0 CA-C-O 121.928 0.87 . . . . 0.0 110.986 -174.091 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.826 0.822 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.88 60.75 1.26 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.409 1.1 . . . . 0.0 110.653 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -81.69 8.13 10.71 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.34 57.74 7.9 Favored Glycine 0 C--N 1.318 -0.431 0 O-C-N 121.407 -0.808 . . . . 0.0 112.247 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -113.05 -86.3 0.57 Allowed 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.005 -0.703 . . . . 0.0 110.999 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 C--O 1.246 0.881 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.65 173.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.21 1.005 . . . . 0.0 110.589 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.765 0.793 . . . . 0.0 110.108 -174.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.96 103.23 0.62 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -147.57 110.39 4.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.454 1.121 . . . . 0.0 110.725 -174.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -174.331 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 7.8 t . . . . . 0 C--O 1.245 0.831 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mmt . . . . . 0 C--O 1.246 0.899 0 O-C-N 121.99 -0.444 . . . . 0.0 111.852 178.746 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 174.41 144.13 0.05 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 124.575 2.131 . . . . 0.0 114.874 -165.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -92.94 154.69 18.03 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.227 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.318 -0.77 0 O-C-N 121.459 -0.775 . . . . 0.0 111.655 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 122.228 1.013 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.142 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -174.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 124.037 1.875 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 125.227 2.442 . . . . 0.0 108.908 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.098 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.256 1.425 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -171.256 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.535 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -86.47 -27.47 24.06 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.743 -172.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.262 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.442 0 CA-C-O 121.663 0.744 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.675 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 6.9 t-105 -77.41 -25.46 50.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.813 1.768 . . . . 0.0 109.965 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -77.23 6.91 5.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.843 1.424 . . . . 0.0 114.843 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.56 22.97 4.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 122.254 1.026 . . . . 0.0 110.403 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.675 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 17.4 t80 -141.53 -2.66 1.21 Allowed 'General case' 0 C--O 1.247 0.925 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -106.33 -147.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 120.804 -1.185 . . . . 0.0 109.737 -171.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.042 0.925 . . . . 0.0 110.934 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 3' ' ' SER . 6.0 p90 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.655 1.217 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 52.76 43.04 31.86 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 1' ' ' TYR . 17.2 m -89.21 -38.53 14.19 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.037 -1.039 . . . . 0.0 111.15 170.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -72.55 0.02 OUTLIER Glycine 0 CA--C 1.498 -1.009 1 N-CA-C 127.066 5.586 . . . . 0.0 127.066 -172.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.249 1.051 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -165.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.995 -1.691 . . . . 0.0 113.631 -169.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.246 0.909 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.61 174.02 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 122.298 1.047 . . . . 0.0 110.727 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 pt20 -72.84 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.728 0.775 . . . . 0.0 109.975 -174.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.512 ' CA ' ' CG1' ' A' ' 31' ' ' VAL . . . -125.91 100.72 0.59 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-O 122.276 0.931 . . . . 0.0 110.83 -175.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.52 103.6 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.319 1.057 . . . . 0.0 111.034 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 174.38 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.253 1.285 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 123.26 1.505 . . . . 0.0 108.467 -176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.772 0.796 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -176.11 139.87 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 124.349 2.023 . . . . 0.0 115.579 -166.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -93.56 159.48 15.21 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.797 170.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 30.7 t80 . . . . . 0 C--N 1.318 -0.797 0 CA-C-O 122.323 1.059 . . . . 0.0 111.242 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.032 0.444 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.512 ' CG1' ' CA ' ' A' ' 12' ' ' GLY . 88.3 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 124.733 2.206 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 125.131 2.396 . . . . 0.0 107.548 -172.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.256 1.42 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.369 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.153 0.501 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.482 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 2.9 t -84.88 -27.18 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.169 -170.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 174.586 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 121.702 0.763 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.646 ' CE2' ' CG2' ' A' ' 46' ' ' VAL . 20.4 t-105 -77.06 -18.75 57.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.312 1.053 . . . . 0.0 110.978 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 13.85 6.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.887 0.851 . . . . 0.0 113.294 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.11 26.05 5.49 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 123.269 1.509 . . . . 0.0 110.116 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 64.4 t80 -144.96 -59.96 0.36 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.854 1.788 . . . . 0.0 108.915 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 42' ' ' TRP . 6.4 t -86.51 -135.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 124.489 1.116 . . . . 0.0 108.774 169.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.27 2.133 0 CA-C-O 122.132 0.968 . . . . 0.0 110.941 178.62 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.9 t80 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.685 0.755 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.05 88.34 5.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.318 1.056 . . . . 0.0 111.38 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -86.56 -6.3 58.92 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.29 41.13 8.27 Favored Glycine 0 C--O 1.239 0.416 0 O-C-N 121.304 -0.872 . . . . 0.0 112.134 -173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -113.54 -93.25 0.48 Allowed 'General case' 0 C--O 1.243 0.722 0 O-C-N 121.867 -0.784 . . . . 0.0 111.18 -174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.859 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.243 0.75 0 CA-C-O 121.243 0.544 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.31 177.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.113 0.958 . . . . 0.0 110.576 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.22 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.585 0.707 . . . . 0.0 109.884 -176.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.23 97.53 1.19 Allowed Glycine 0 C--N 1.318 -0.42 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -136.21 88.22 2.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.253 1.025 . . . . 0.0 111.283 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.648 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 16.7 t . . . . . 0 CA--C 1.506 -0.729 0 CA-C-O 122.056 0.932 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 tpp . . . . . 0 C--N 1.318 -0.777 0 O-C-N 121.563 -0.71 . . . . 0.0 111.898 -170.475 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.773 0.797 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 175.23 142.15 0.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 125.145 2.402 . . . . 0.0 114.999 -165.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.462 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 5.6 p -93.52 161.97 14.15 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.548 -1.345 . . . . 0.0 110.754 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.452 ' N ' ' CZ2' ' A' ' 42' ' ' TRP . 57.8 t80 . . . . . 0 C--N 1.319 -0.74 0 O-C-N 121.512 -0.743 . . . . 0.0 111.575 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 121.31 0.576 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.098 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.237 0.395 0 CA-C-O 125.018 2.342 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 125.211 2.434 . . . . 0.0 109.037 -170.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.255 1.364 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -170.564 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 120.924 0.392 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.402 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 3.2 t -88.62 -26.1 22.09 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.161 -0.616 . . . . 0.0 112.462 -171.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.316 -0.875 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 173.698 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.241 0.656 0 CA-C-O 121.46 0.648 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 13.6 t-105 -74.74 -9.24 58.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.67 0.748 . . . . 0.0 112.618 -172.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -14.15 44.58 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 123.409 1.576 . . . . 0.0 113.338 -173.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.42 -33.77 10.91 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.601 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 28.2 t80 -82.33 -25.39 33.94 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.44 -146.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.631 -0.668 . . . . 0.0 109.264 -173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.037 0.922 . . . . 0.0 110.962 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.421 0.629 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -100.85 70.99 1.42 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.307 1.051 . . . . 0.0 110.933 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -86.26 -28.56 23.71 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.146 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.95 29.88 7.81 Favored Glycine 0 C--O 1.24 0.518 0 O-C-N 121.54 -0.725 . . . . 0.0 112.92 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.19 -129.34 0.0 OUTLIER 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.815 0 O-C-N 121.217 -0.927 . . . . 0.0 111.039 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 122.845 1.307 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -86.08 -7.56 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.607 1.194 . . . . 0.0 114.177 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -36.49 96.88 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 123.014 1.388 . . . . 0.0 112.445 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.92 6.92 0.07 OUTLIER Glycine 0 C--O 1.248 1.022 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -115.87 90.13 3.27 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 120.712 -1.463 . . . . 0.0 109.508 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.718 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -172.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.9 t . . . . . 0 C--O 1.256 1.445 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 mmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 122.818 1.294 . . . . 0.0 110.346 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 164.41 142.54 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 123.952 1.834 . . . . 0.0 114.198 -167.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 p -92.85 155.42 17.63 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.624 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.449 ' N ' ' CH2' ' A' ' 42' ' ' TRP . 68.3 t80 . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 121.949 0.881 . . . . 0.0 110.474 172.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.352 0.596 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 . . . . . 0 C--O 1.254 1.317 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -177.405 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 124.785 2.231 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 125.418 2.532 . . . . 0.0 107.648 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.887 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.255 1.36 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -171.664 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.635 0 CA-C-O 121.284 0.564 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.412 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -85.86 -27.66 24.92 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 118.83 -0.605 . . . . 0.0 112.434 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--N 1.316 -0.874 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 173.89 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.839 0 CA-C-O 121.047 0.451 . . . . 0.0 110.625 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.449 ' CH2' ' N ' ' A' ' 25' ' ' PHE . 16.5 t-105 -75.61 -28.07 58.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.187 0.994 . . . . 0.0 110.613 -171.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 12.48 3.7 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.2 27.11 4.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.412 1.101 . . . . 0.0 109.807 169.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 29.6 t80 -156.76 13.22 0.27 Allowed 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.872 0.844 . . . . 0.0 112.835 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.48 -149.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.837 0 O-C-N 120.304 -1.497 . . . . 0.0 109.717 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.27 2.181 0 CA-C-O 121.998 0.904 . . . . 0.0 111.032 -173.694 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 p90 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 121.762 0.792 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.03 67.27 0.97 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.241 1.019 . . . . 0.0 111.13 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -63.17 -29.21 70.61 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.291 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.97 62.32 0.97 Allowed Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.023 0.79 . . . . 0.0 111.171 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -134.9 -90.39 0.33 Allowed 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.956 -0.732 . . . . 0.0 111.137 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -125.33 42.42 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.279 1.037 . . . . 0.0 111.537 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -75.17 0.12 17.41 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.33 177.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 122.294 1.045 . . . . 0.0 110.519 176.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -71.95 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.599 0.714 . . . . 0.0 109.797 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.78 103.41 0.91 Allowed Glycine 0 C--N 1.318 -0.466 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -138.29 104.53 5.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.427 1.108 . . . . 0.0 110.781 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -71.06 -13.12 61.87 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.408 ' C ' ' N ' ' A' ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -44.44 -29.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.199 -0.938 . . . . 0.0 111.278 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 5.8 t -82.78 -36.92 25.24 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -170.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -69.01 0.64 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.964 0.888 . . . . 0.0 109.642 -174.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -128.08 176.35 7.7 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 121.14 -0.975 . . . . 0.0 111.05 -176.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 22' ' ' LYS . 0.6 OUTLIER 175.77 145.27 0.07 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 125.191 2.424 . . . . 0.0 115.368 -165.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -92.59 161.32 14.64 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.596 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.49 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 42.3 t80 -59.54 -39.91 85.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.979 0.895 . . . . 0.0 110.35 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 122.028 0.918 . . . . 0.0 110.836 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.34 15.64 0.05 Allowed 'General case' 0 C--O 1.252 1.207 0 N-CA-C 115.473 1.656 . . . . 0.0 115.473 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -73.84 -63.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 124.658 2.171 . . . . 0.0 108.879 172.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.82 -60.35 2.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 124.633 2.158 . . . . 0.0 109.27 174.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.16 82.88 8.17 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.137 1.335 . . . . 0.0 109.467 173.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t -54.18 -24.68 19.06 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -170.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -50.03 -29.93 9.71 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.544 174.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.49 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -89.51 -24.22 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.572 -170.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.6 m -75.33 -37.06 60.94 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.8 -31.29 16.56 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.142 169.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.0 t-105 -76.2 -27.54 56.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.705 1.24 . . . . 0.0 110.558 -172.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.07 13.36 4.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.2 14.91 4.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.049 0.928 . . . . 0.0 110.579 169.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 3.2 t80 -137.93 -9.28 1.57 Allowed 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 p -98.78 -142.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 O-C-N 120.652 -1.28 . . . . 0.0 110.132 -170.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.058 0.932 . . . . 0.0 110.883 -179.484 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 16.9 t80 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 122.116 0.96 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.6 t-20 -91.29 83.12 5.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.417 1.103 . . . . 0.0 110.975 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -84.66 3.88 35.05 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.909 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.47 33.96 8.97 Favored Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.444 -0.785 . . . . 0.0 111.736 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -89.57 -87.73 0.17 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.925 -0.75 . . . . 0.0 110.931 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 mt -138.49 39.15 2.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.483 1.135 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -83.91 -13.64 53.01 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.58 173.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 122.353 1.073 . . . . 0.0 110.686 -174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -77.79 16.92 0.61 Allowed 'General case' 0 C--O 1.248 0.998 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.56 123.01 1.5 Allowed Glycine 0 N--CA 1.464 0.515 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -157.49 95.62 1.47 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.893 0.854 . . . . 0.0 111.265 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.25 -19.9 66.18 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -52.58 -31.74 37.7 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 0.0 111.321 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 t -74.55 -34.58 62.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.582 -0.699 . . . . 0.0 112.405 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 31.3 mmt -90.3 -21.76 21.9 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.45 -0.781 . . . . 0.0 111.507 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -131.46 167.6 19.06 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.116 -0.99 . . . . 0.0 111.369 -173.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 176.92 137.95 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 124.387 2.042 . . . . 0.0 115.594 -169.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p -94.48 165.43 12.55 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 120.708 -1.245 . . . . 0.0 110.201 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.445 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 55.0 t80 -60.61 -30.7 70.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.851 0.834 . . . . 0.0 110.501 171.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.21 71.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.116 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -72.14 23.66 0.05 Allowed 'General case' 0 C--O 1.256 1.428 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -69.01 -27.12 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 124.663 2.173 . . . . 0.0 110.07 170.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.17 -55.91 2.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 125.085 2.374 . . . . 0.0 108.3 -170.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.16 83.12 8.07 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 120.558 -1.339 . . . . 0.0 109.108 173.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t -54.24 -19.71 5.71 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -49.89 -30.15 9.54 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.436 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.445 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.0 t -91.6 -24.91 19.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.893 -169.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.2 m -73.62 -34.11 64.86 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.3 -30.61 28.99 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.29 170.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 5.8 t-105 -75.74 -29.68 58.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.755 1.264 . . . . 0.0 110.335 -173.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 7.13 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.42 1.105 . . . . 0.0 113.365 -174.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.86 -29.34 6.05 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.062 0.934 . . . . 0.0 111.324 170.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 28.6 t80 -92.19 -14.52 28.92 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 p -87.09 -147.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.454 -0.779 . . . . 0.0 109.847 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 C--O 1.27 2.172 0 CA-C-O 121.868 0.842 . . . . 0.0 110.88 -173.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.72 0.771 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.69 47.13 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.327 1.061 . . . . 0.0 111.144 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.69 -30.49 59.37 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.515 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 33.81 6.09 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 -89.65 0.3 Allowed 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.487 -1.008 . . . . 0.0 111.243 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.24 60.8 1.69 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.558 1.17 . . . . 0.0 111.054 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.477 ' CD1' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . 0.477 ' N ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -11.02 35.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.648 0.737 . . . . 0.0 112.073 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.05 177.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.475 1.131 . . . . 0.0 110.282 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -70.46 -165.34 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 123.331 1.539 . . . . 0.0 109.857 -172.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.53 95.32 1.02 Allowed Glycine 0 C--N 1.319 -0.404 0 CA-C-O 122.878 1.266 . . . . 0.0 110.062 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -146.82 111.56 5.3 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.495 1.141 . . . . 0.0 110.325 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.59 -8.35 56.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -38.35 2.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.412 1.101 . . . . 0.0 111.264 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t -86.55 -32.59 20.61 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.121 -0.987 . . . . 0.0 112.827 -169.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.46 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 mmt -92.3 -3.04 56.01 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.813 -0.554 . . . . 0.0 111.662 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 169.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.979 0.895 . . . . 0.0 113.09 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 172.12 142.88 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 124.533 2.111 . . . . 0.0 115.005 -166.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -92.79 155.81 17.42 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.524 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 1.1 t80 -49.5 -44.56 46.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.307 1.051 . . . . 0.0 110.506 172.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.16 82.17 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.993 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.6 29.83 0.24 Allowed 'General case' 0 C--O 1.247 0.968 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 t -65.73 -30.8 51.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 124.837 2.256 . . . . 0.0 109.615 171.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.66 -55.72 2.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 124.848 2.261 . . . . 0.0 108.154 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.63 76.04 10.23 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 120.702 -1.249 . . . . 0.0 108.769 171.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 t -52.45 -17.85 1.4 Allowed 'General case' 0 C--O 1.255 1.35 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -170.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -49.26 -30.34 7.09 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.07 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 25' ' ' PHE . 3.1 t -87.25 -24.96 24.21 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.745 -172.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.4 m -70.1 -41.76 73.62 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -68.44 -32.95 73.34 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 113.614 -1.63 . . . . 0.0 109.383 168.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.659 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.2 t-105 -78.24 -30.11 48.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.125 0.964 . . . . 0.0 111.314 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -7.71 54.65 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.792 1.758 . . . . 0.0 112.385 -171.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -28.08 11.88 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.486 170.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.5 t80 -91.19 -4.09 56.41 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 p -120.03 -142.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 O-C-N 121.028 -1.045 . . . . 0.0 109.529 -172.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.4 t0 . . . . . 0 C--O 1.271 2.227 0 O-C-N 121.196 -0.94 . . . . 0.0 111.203 176.713 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.683 0.754 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -89.12 85.93 6.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.489 1.138 . . . . 0.0 112.445 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -86.81 -29.05 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.966 0.889 . . . . 0.0 110.5 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.56 29.17 24.99 Favored Glycine 0 C--O 1.243 0.66 0 O-C-N 121.807 -0.558 . . . . 0.0 113.378 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -115.72 -93.35 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.662 -0.905 . . . . 0.0 112.698 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -21.33 36.63 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 1.1 m-30 -90.26 16.27 8.93 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.545 -0.722 . . . . 0.0 112.678 174.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -116.23 173.5 3.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.319 1.057 . . . . 0.0 110.828 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.95 -140.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.954 0.883 . . . . 0.0 110.209 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -123.6 101.68 0.71 Allowed Glycine 0 C--N 1.319 -0.398 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.235 1.017 . . . . 0.0 111.243 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.33 -12.96 60.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.53 -20.55 1.19 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 121.183 -0.948 . . . . 0.0 112.28 -175.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 9.2 t -81.02 -35.71 31.54 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.448 -0.782 . . . . 0.0 112.386 -170.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 32.1 mmt -82.0 -72.7 0.42 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.606 1.193 . . . . 0.0 109.328 -174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.53 171.78 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 112.162 -172.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 172.83 136.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 123.858 1.789 . . . . 0.0 115.044 -169.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 p -93.6 165.74 12.58 Favored 'General case' 0 C--O 1.243 0.732 0 O-C-N 121.1 -1.0 . . . . 0.0 110.084 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -61.84 -29.11 69.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.019 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.15 68.91 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.531 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -80.08 54.02 1.84 Allowed 'General case' 0 C--O 1.254 1.337 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.4 t -67.72 -32.9 58.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 124.683 2.182 . . . . 0.0 109.441 170.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 125.714 2.673 . . . . 0.0 108.527 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.75 78.87 9.63 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.57 -1.331 . . . . 0.0 109.425 173.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -54.99 -15.35 1.97 Allowed 'General case' 0 C--O 1.255 1.359 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -33.63 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.716 173.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.8 t -85.83 -26.64 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 m -71.69 -36.92 70.75 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -32.35 21.87 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.388 169.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t-105 -76.65 -21.26 55.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.114 0.959 . . . . 0.0 111.065 -172.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 11.52 4.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.79 32.04 2.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 122.652 1.215 . . . . 0.0 109.76 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 73.6 t80 -145.41 -44.78 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.879 -173.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -7.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -174.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OXT' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.185 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.324 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 121.358 0.599 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.16 90.14 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.216 1.008 . . . . 0.0 112.237 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.13 -29.72 21.6 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.337 0.589 . . . . 0.0 111.245 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.12 42.91 2.7 Favored Glycine 0 C--O 1.243 0.708 0 O-C-N 121.543 -0.723 . . . . 0.0 113.705 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -79.69 0.34 Allowed 'General case' 0 C--O 1.244 0.766 0 O-C-N 121.766 -0.843 . . . . 0.0 111.064 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 28.75 0.93 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.579 -0.701 . . . . 0.0 112.034 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -94.25 32.71 1.48 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.07 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.76 174.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.247 1.022 . . . . 0.0 110.49 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.2 19.7 0.31 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -173.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.94 109.28 0.02 OUTLIER Glycine 0 C--N 1.317 -0.493 0 CA-C-O 122.489 1.05 . . . . 0.0 111.177 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.2 104.59 3.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.422 1.106 . . . . 0.0 110.496 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' CYS . 38.5 mt -60.39 -47.98 83.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 -173.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -57.08 -34.27 68.12 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.285 -0.884 . . . . 0.0 111.222 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' LEU . 7.6 t -170.6 -38.88 0.02 OUTLIER 'General case' 0 C--O 1.246 0.896 0 O-C-N 121.865 -0.522 . . . . 0.0 111.771 173.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.4 mmt -88.06 -68.57 0.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.872 1.32 . . . . 0.0 109.228 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 171.46 7.39 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.461 -1.399 . . . . 0.0 111.35 -170.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.53 142.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 124.462 2.077 . . . . 0.0 114.216 -166.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.485 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 19.7 p -91.84 164.47 13.67 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.33 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.403 ' CZ ' ' OG1' ' A' ' 39' ' ' THR . 40.4 t80 -66.88 -32.01 73.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.786 0.803 . . . . 0.0 110.225 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -91.13 -8.95 47.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.902 177.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 4.6 27.52 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.3 -27.88 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 124.859 2.266 . . . . 0.0 109.2 170.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -100.36 -51.42 3.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 126.474 3.035 . . . . 0.0 108.7 -170.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.73 73.68 10.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 120.49 -1.381 . . . . 0.0 109.209 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -53.43 -17.26 1.82 Allowed 'General case' 0 C--O 1.254 1.305 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -170.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -50.33 -28.91 8.76 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.419 173.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 3.2 t -88.02 -26.17 22.73 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.096 -172.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' A' ' 25' ' ' PHE . 91.2 m -74.18 -39.46 63.17 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -51.24 -32.29 23.66 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 113.826 -1.533 . . . . 0.0 109.855 168.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 15.9 t-105 -76.21 -22.68 54.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.602 1.667 . . . . 0.0 110.352 -174.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 13.23 0.99 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 173.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -131.69 4.5 4.24 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.411 0.684 . . . . 0.0 112.141 171.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 40.3 t80 -119.08 -34.9 3.75 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.383 -0.823 . . . . 0.0 112.331 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -77.39 1.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.475 1.131 . . . . 0.0 113.613 -175.137 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.272 2.259 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.794 0.807 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -85.0 88.91 7.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.459 1.123 . . . . 0.0 111.739 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -86.97 -28.12 22.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.609 0.718 . . . . 0.0 111.223 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.58 36.7 42.66 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 121.795 0.664 . . . . 0.0 111.607 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.32 -88.08 0.29 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.004 -0.704 . . . . 0.0 111.077 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.27 36.87 2.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.25 1.024 . . . . 0.0 110.848 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -80.37 -35.08 35.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.32 1.057 . . . . 0.0 110.691 174.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.82 -7.23 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 123.545 1.641 . . . . 0.0 113.96 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.86 135.4 0.65 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 123.768 1.747 . . . . 0.0 111.485 175.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 31' ' ' VAL . . . 125.95 17.23 2.55 Favored Glycine 0 C--O 1.238 0.398 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.943 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -129.65 101.31 5.86 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.308 1.051 . . . . 0.0 110.86 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -33.08 70.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 111.683 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -45.0 19.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.934 0.873 . . . . 0.0 112.546 -174.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . 0.445 ' CD1' ' N ' ' A' ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.484 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.5 t -85.75 -22.43 27.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -171.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -27.67 12.25 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.783 0.801 . . . . 0.0 112.088 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.8 170.95 11.08 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.285 1.04 . . . . 0.0 112.619 -173.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.49 134.75 0.04 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 123.481 1.61 . . . . 0.0 114.197 -170.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -93.05 164.57 13.22 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.358 170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 26' ' ' CGU . 40.6 t80 -72.47 127.16 31.72 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 170.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . 0.475 ' CB ' ' O ' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.69 -43.37 57.63 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.26 170.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -72.44 27.57 0.05 Allowed 'General case' 0 C--O 1.258 1.55 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' CG1' ' C ' ' A' ' 12' ' ' GLY . 14.6 t -66.26 -29.71 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 124.776 2.226 . . . . 0.0 109.662 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -104.78 -54.69 2.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.234 2.445 . . . . 0.0 108.734 -170.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -83.95 85.72 7.28 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 120.802 -1.186 . . . . 0.0 109.579 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t -54.6 -26.11 30.61 Favored 'General case' 0 C--O 1.251 1.141 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -55.0 -31.46 61.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.842 173.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' CG2' ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -89.76 -20.77 23.15 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.436 -169.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -74.7 -27.5 60.42 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.156 0.503 . . . . 0.0 112.068 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -33.28 22.83 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.44 168.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -77.35 -22.43 51.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.536 1.636 . . . . 0.0 110.638 -173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.62 8.29 3.05 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -133.04 32.6 3.74 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 123.469 1.604 . . . . 0.0 108.506 170.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 86.9 t80 -179.67 71.71 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.398 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 p -148.54 -150.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 121.523 -0.736 . . . . 0.0 109.874 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 . . . . . 0 C--O 1.269 2.124 0 CA-C-O 122.038 0.923 . . . . 0.0 111.396 -174.345 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.345 1.069 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -103.85 76.33 1.36 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.708 1.242 . . . . 0.0 110.315 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.43 -34.19 60.97 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.391 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.38 70.41 1.07 Allowed Glycine 0 CA--C 1.508 -0.346 0 CA-C-O 122.15 0.861 . . . . 0.0 112.283 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -130.28 -89.6 0.48 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.818 -0.813 . . . . 0.0 111.084 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -118.77 -7.16 10.54 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.601 -0.687 . . . . 0.0 112.827 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -104.36 -28.3 11.45 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.041 1.401 . . . . 0.0 110.42 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -94.09 -2.66 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.09 15.81 0.08 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.11 65.86 0.67 Allowed Glycine 0 C--N 1.318 -0.465 0 CA-C-O 122.831 1.239 . . . . 0.0 111.717 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -161.8 116.19 1.93 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.809 -0.696 . . . . 0.0 110.445 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.97 -52.94 9.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.59 0.71 . . . . 0.0 112.641 -173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttm105 -73.08 -42.05 63.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.115 0.96 . . . . 0.0 111.617 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.7 t -139.34 -34.59 0.57 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.427 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -87.46 -34.62 18.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 120.235 -1.54 . . . . 0.0 110.336 -176.781 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -38.88 154.64 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 124.174 1.94 . . . . 0.0 114.839 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.67 142.46 1.58 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.843 1.782 . . . . 0.0 113.45 -166.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 p -92.22 160.3 15.23 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.114 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.465 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 1.7 t80 -62.01 -29.0 69.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.974 0.892 . . . . 0.0 110.086 171.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -44.79 67.53 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.669 -0.644 . . . . 0.0 111.123 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -76.06 20.41 0.2 Allowed 'General case' 0 C--O 1.248 0.99 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.88 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 124.833 2.254 . . . . 0.0 108.704 172.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.35 -55.2 11.34 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 125.036 2.35 . . . . 0.0 108.609 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -83.9 86.26 7.2 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 120.577 -1.327 . . . . 0.0 109.282 174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 t -56.03 -22.2 25.97 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -30.73 36.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.314 173.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.465 ' CG2' ' CZ ' ' A' ' 25' ' ' PHE . 3.2 t -85.85 -28.65 24.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.169 -172.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 m -67.08 -43.57 82.26 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -51.59 -32.07 27.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.288 168.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CH2' ' N ' ' A' ' 25' ' ' PHE . 12.5 t-105 -76.74 -25.27 53.3 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.891 1.805 . . . . 0.0 110.009 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 11.79 3.72 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.008 -1.057 . . . . 0.0 113.501 -178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.3 27.29 3.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.276 1.036 . . . . 0.0 110.193 171.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 32.2 t80 -155.43 14.54 0.37 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.204 1.002 . . . . 0.0 112.417 -173.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.3 -150.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.778 0 O-C-N 120.6 -1.312 . . . . 0.0 109.612 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.057 0.932 . . . . 0.0 111.085 -174.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.7 0.762 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -128.76 67.04 1.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.488 1.137 . . . . 0.0 110.641 -173.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -59.25 -25.97 64.51 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.363 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.0 40.93 93.44 Favored Glycine 0 C--N 1.319 -0.395 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -82.5 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.029 -0.689 . . . . 0.0 111.065 175.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 1.2 pt? -145.89 19.72 1.45 Allowed 'General case' 0 C--O 1.243 0.758 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -91.02 18.39 6.79 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 t -111.7 168.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 123.383 1.563 . . . . 0.0 111.444 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 12' ' ' GLY . 56.3 mt-30 -77.11 93.95 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 124.191 0.996 . . . . 0.0 113.035 -172.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 11' ' ' GLN . . . -1.53 98.19 0.01 OUTLIER Glycine 0 C--N 1.316 -0.54 0 C-N-CA 125.476 1.512 . . . . 0.0 113.175 169.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -153.19 117.16 4.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.272 1.034 . . . . 0.0 109.95 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.27 3.13 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.706 -173.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -47.08 -27.7 1.46 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 7.1 t -100.35 -25.59 14.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 120.821 -1.174 . . . . 0.0 112.62 -170.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.3 mmt -97.28 1.95 50.19 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.779 -0.576 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER 47.54 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.631 1.172 . . . . 0.0 112.733 -177.166 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.472 ' N ' ' CG ' ' A' ' 22' ' ' LYS . 0.5 OUTLIER 171.48 145.79 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 124.868 2.27 . . . . 0.0 114.347 -166.109 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -92.67 156.16 17.25 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 114.117 -1.402 . . . . 0.0 110.172 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 25' ' ' PHE . 1.3 t80 -51.92 -38.19 55.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.029 0.919 . . . . 0.0 110.685 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.97 66.93 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.831 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -71.93 25.66 0.05 OUTLIER 'General case' 0 C--O 1.257 1.45 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -67.86 -28.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 124.752 2.215 . . . . 0.0 109.931 171.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.32 -56.84 2.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 125.25 2.452 . . . . 0.0 108.064 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.53 78.23 9.87 Favored 'General case' 0 C--O 1.247 0.926 0 O-C-N 120.595 -1.315 . . . . 0.0 109.044 172.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 t -53.9 -15.61 1.43 Allowed 'General case' 0 C--O 1.255 1.35 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -50.73 -31.43 16.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.975 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 t -88.4 -25.14 22.84 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.381 -171.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m -69.33 -43.34 73.9 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -51.64 -33.71 34.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.903 -1.499 . . . . 0.0 110.134 170.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.67 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.2 t-105 -76.77 -26.58 54.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.349 1.071 . . . . 0.0 111.131 -173.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -16.73 63.28 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.503 1.62 . . . . 0.0 113.397 -174.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -114.12 34.93 4.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.38 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.67 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.2 t80 -148.99 -70.28 0.21 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.097 0.951 . . . . 0.0 110.71 -174.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 13.67 123.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 C-N-CA 129.068 2.947 . . . . 0.0 117.038 171.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.27 2.17 0 O-C-N 120.446 -1.409 . . . . 0.0 110.964 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 43.5 p90 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 121.638 0.733 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.0 t-20 -173.24 77.69 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.968 0.89 . . . . 0.0 111.677 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -87.38 -31.39 20.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 0.0 110.917 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.03 29.65 40.97 Favored Glycine 0 C--O 1.241 0.551 0 CA-C-O 121.667 0.593 . . . . 0.0 113.013 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -96.07 -88.42 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.665 -0.903 . . . . 0.0 110.921 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.57 46.12 1.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.776 1.274 . . . . 0.0 110.935 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -86.5 11.76 11.89 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.26 -177.37 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-O 122.072 0.939 . . . . 0.0 110.234 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.23 14.2 0.78 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.68 97.78 0.01 OUTLIER Glycine 0 C--N 1.317 -0.498 0 CA-C-O 122.534 1.074 . . . . 0.0 110.752 -174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -150.8 95.24 2.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.026 0.917 . . . . 0.0 110.704 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -58.29 -42.94 87.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.74 0.781 . . . . 0.0 110.805 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -72.61 0.4 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.742 0.782 . . . . 0.0 113.008 175.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 9.6 t -69.54 -27.65 65.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.926 1.346 . . . . 0.0 112.359 -173.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -68.18 0.75 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 123.468 1.604 . . . . 0.0 110.883 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.93 176.94 5.41 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.664 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.52 135.54 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 124.133 1.92 . . . . 0.0 115.057 -170.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.9 p -94.28 153.61 17.94 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.601 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 70.1 t80 -51.27 163.61 0.23 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 123.968 1.842 . . . . 0.0 107.145 168.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . 0.427 ' CB ' ' O ' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -72.67 -49.02 34.33 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.792 -1.549 . . . . 0.0 112.085 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -76.0 19.0 0.24 Allowed 'General case' 0 C--O 1.248 1.024 0 O-C-N 121.008 -1.058 . . . . 0.0 113.4 -172.693 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.06 -71.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 124.244 1.973 . . . . 0.0 108.347 171.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -42.91 -45.63 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 126.403 3.001 . . . . 0.0 108.967 170.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.81 95.51 9.0 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 120.274 -1.516 . . . . 0.0 110.538 -177.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 t -64.08 -31.09 72.15 Favored 'General case' 0 C--O 1.25 1.121 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -57.0 -37.4 71.62 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.539 0.685 . . . . 0.0 110.824 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.534 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.3 t -87.96 -17.17 31.87 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -166.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -71.17 -30.48 66.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.624 0.726 . . . . 0.0 110.584 171.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.86 -32.58 20.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.176 169.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 11.4 t-105 -77.23 -23.79 51.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 123.102 1.43 . . . . 0.0 110.754 -171.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.23 14.95 2.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.171 0.986 . . . . 0.0 113.601 175.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -138.93 18.3 2.64 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.907 0.861 . . . . 0.0 110.632 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 11.9 t80 -138.26 -3.19 1.77 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -99.52 -140.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.922 -1.111 . . . . 0.0 109.611 -172.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 t0 . . . . . 0 C--O 1.271 2.205 0 CA-C-O 121.92 0.867 . . . . 0.0 111.055 175.39 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' CG ' ' O ' ' A' ' 1' ' ' TYR . 2.6 p90 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 123.167 1.461 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.88 51.22 17.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.276 1.036 . . . . 0.0 111.891 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -66.95 -32.71 74.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.748 0.785 . . . . 0.0 112.202 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 47.33 3.45 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -116.98 -91.56 0.54 Allowed 'General case' 0 C--O 1.244 0.787 0 O-C-N 122.0 -0.706 . . . . 0.0 111.007 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mt -111.56 -16.95 13.16 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.408 -0.808 . . . . 0.0 112.795 -175.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -93.01 30.3 1.64 Allowed 'General case' 0 C--O 1.243 0.711 0 O-C-N 121.565 -0.71 . . . . 0.0 112.194 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.15 172.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 122.308 1.052 . . . . 0.0 110.58 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -72.89 -139.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.304 1.05 . . . . 0.0 110.34 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.08 97.86 0.99 Allowed Glycine 0 C--N 1.318 -0.432 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.29 99.14 4.59 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.252 1.025 . . . . 0.0 111.04 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.08 -19.15 61.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.69 -23.84 39.28 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 11.5 t -83.7 -35.54 24.39 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.482 -0.761 . . . . 0.0 112.504 -172.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 29.6 mmt -88.8 -33.64 17.35 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.069 -1.019 . . . . 0.0 111.089 -171.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -100.31 173.58 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 121.245 -0.91 . . . . 0.0 111.141 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 169.49 141.06 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 123.847 1.785 . . . . 0.0 113.75 -167.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 10.3 p -93.21 165.14 12.96 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.095 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 55.9 t80 -67.4 -26.42 66.43 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.797 0.808 . . . . 0.0 110.643 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.42 77.77 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.316 0.579 . . . . 0.0 110.555 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 32.79 0.11 Allowed 'General case' 0 C--O 1.253 1.28 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.2 t -69.08 -34.96 66.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 124.463 2.077 . . . . 0.0 109.702 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.44 -50.5 4.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 125.78 2.705 . . . . 0.0 107.782 -170.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -86.0 84.23 7.58 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.577 -1.327 . . . . 0.0 110.026 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 t -55.08 -12.82 0.97 Allowed 'General case' 0 C--O 1.256 1.427 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -33.46 10.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.243 173.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -85.67 -28.75 24.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.286 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -70.18 -40.88 74.39 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -50.65 -31.26 15.69 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.52 169.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.45 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 12.7 t-105 -76.31 -25.86 55.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.993 0.901 . . . . 0.0 110.613 -172.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.34 12.42 2.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -118.31 -37.79 3.29 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.403 1.097 . . . . 0.0 110.464 171.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 23.1 t80 -80.18 -23.89 40.7 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.32 -136.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.423 -0.798 . . . . 0.0 108.974 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.27 2.159 0 CA-C-O 121.98 0.895 . . . . 0.0 110.974 174.182 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 36.9 p90 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.543 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 8.8 t-20 -178.8 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.072 0.939 . . . . 0.0 111.085 -173.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -33.87 18.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.78 0.8 . . . . 0.0 111.122 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.69 23.0 8.54 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 121.727 -0.608 . . . . 0.0 112.759 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.6 -72.53 0.22 Allowed 'General case' 0 C--O 1.245 0.817 0 O-C-N 121.633 -0.922 . . . . 0.0 110.895 -178.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' N ' ' CG ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -162.01 33.66 0.12 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.409 1.099 . . . . 0.0 110.631 179.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -75.53 -4.82 42.04 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.67 172.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.491 1.138 . . . . 0.0 110.932 -173.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.0 14.33 1.16 Allowed 'General case' 0 C--O 1.246 0.899 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -173.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.24 115.7 0.08 OUTLIER Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -174.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -146.7 108.25 4.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.89 0.852 . . . . 0.0 110.685 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' CGU . 82.4 mt -59.57 -70.18 0.17 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.729 0.776 . . . . 0.0 111.847 -173.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -43.79 51.97 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.541 -0.724 . . . . 0.0 111.921 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 6.2 t -58.66 -38.82 78.98 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 120.665 -1.272 . . . . 0.0 113.243 -172.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.401 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 1.6 tpp -102.75 14.36 32.14 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 120.92 -1.113 . . . . 0.0 112.905 -170.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.86 178.02 4.56 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.07 143.48 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.77 2.7 . . . . 0.0 115.082 -166.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.0 p -92.79 154.25 18.39 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.914 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' CZ ' ' CG2' ' A' ' 38' ' ' THR . 5.4 t80 -52.37 -25.7 10.47 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.409 -0.807 . . . . 0.0 111.647 172.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.84 -53.26 59.92 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 122.778 1.275 . . . . 0.0 111.063 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -0.71 0.11 Allowed 'General case' 0 C--O 1.254 1.314 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -70.72 -62.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 124.289 1.995 . . . . 0.0 108.55 173.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.69 -49.53 47.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 125.296 2.474 . . . . 0.0 108.895 172.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 81.57 8.78 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 120.546 -1.347 . . . . 0.0 110.102 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -58.24 -9.91 1.73 Allowed 'General case' 0 C--O 1.255 1.379 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -49.14 -30.18 6.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.702 171.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' CG2' ' CZ ' ' A' ' 25' ' ' PHE . 4.2 t -86.16 -30.85 22.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.215 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 m -67.88 -43.03 80.3 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.72 -29.93 12.58 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.273 169.528 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.652 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 4.7 t-105 -76.57 -29.56 56.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.236 1.493 . . . . 0.0 110.226 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 14.09 4.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 122.228 1.013 . . . . 0.0 113.613 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -134.84 17.81 3.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.443 1.116 . . . . 0.0 109.879 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 2.1 t80 -139.51 -16.83 1.02 Allowed 'General case' 0 C--O 1.252 1.212 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.82 -139.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 O-C-N 120.691 -1.255 . . . . 0.0 109.399 -172.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 . . . . . 0 C--O 1.27 2.168 0 CA-C-O 122.037 0.922 . . . . 0.0 111.005 175.281 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 121.953 0.883 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -171.39 71.56 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.52 1.152 . . . . 0.0 110.732 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -55.2 -28.58 54.05 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.648 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.78 29.71 20.22 Favored Glycine 0 C--O 1.24 0.488 0 O-C-N 121.586 -0.696 . . . . 0.0 112.729 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -87.24 -85.8 0.16 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.708 -0.878 . . . . 0.0 111.27 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -136.72 37.62 2.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.269 1.033 . . . . 0.0 111.139 -176.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.84 2.89 24.52 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -174.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -97.22 173.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.586 1.184 . . . . 0.0 110.972 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -78.08 19.89 0.4 Allowed 'General case' 0 C--O 1.25 1.086 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.68 0.33 Allowed Glycine 0 C--N 1.318 -0.442 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -146.07 106.33 4.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.153 0.978 . . . . 0.0 110.582 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.86 -16.97 59.26 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -44.6 -29.0 0.66 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.064 0.935 . . . . 0.0 111.937 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 6.4 t -78.0 -39.45 42.2 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 121.287 -0.883 . . . . 0.0 113.373 -170.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.74 -69.95 0.56 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 122.311 1.053 . . . . 0.0 109.431 -173.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -114.93 173.17 6.62 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.03 -1.044 . . . . 0.0 111.17 -173.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER 175.46 143.47 0.06 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.823 2.249 . . . . 0.0 115.85 -166.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 p -93.85 152.7 18.71 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.982 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.494 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 54.5 t80 -49.47 -26.6 3.48 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.575 -0.703 . . . . 0.0 111.717 172.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -54.55 -51.35 65.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.299 1.047 . . . . 0.0 110.928 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.37 7.53 0.1 Allowed 'General case' 0 C--O 1.252 1.215 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.7 t -74.07 -68.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 124.092 1.901 . . . . 0.0 108.632 172.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.95 -52.27 8.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 125.351 2.5 . . . . 0.0 108.733 172.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -83.65 82.54 8.27 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 120.556 -1.34 . . . . 0.0 109.572 -176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t -55.81 -19.91 13.27 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.96 -31.02 11.52 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.991 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.494 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.4 t -88.53 -24.75 22.84 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.966 -0.693 . . . . 0.0 111.808 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -73.24 -40.24 64.83 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -33.59 24.43 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 113.984 -1.462 . . . . 0.0 110.408 168.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 9.6 t-105 -76.69 -29.83 56.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.224 1.011 . . . . 0.0 111.048 -171.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -22.28 64.51 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 124.05 1.881 . . . . 0.0 112.72 -173.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -94.0 -28.11 15.95 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.864 173.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 45.2 t80 -86.73 -11.0 52.4 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 p -95.93 -148.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.41 -0.806 . . . . 0.0 109.357 -173.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--O 1.27 2.142 0 CA-C-O 122.106 0.955 . . . . 0.0 110.967 -174.476 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.226 0.536 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 49.86 59.25 4.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.283 1.039 . . . . 0.0 112.019 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -59.57 -32.55 70.47 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.649 0.738 . . . . 0.0 111.657 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 28.62 66.48 Favored Glycine 0 C--O 1.24 0.482 0 O-C-N 121.706 -0.621 . . . . 0.0 112.021 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -105.73 0.17 Allowed 'General case' 0 C--O 1.25 1.128 0 O-C-N 121.81 -0.818 . . . . 0.0 110.499 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 31.14 6.28 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.048 -1.033 . . . . 0.0 111.313 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -67.6 -24.89 65.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.726 0.774 . . . . 0.0 111.451 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -82.67 171.18 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 123.028 1.394 . . . . 0.0 110.937 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -156.68 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.929 1.347 . . . . 0.0 110.185 -172.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' CA ' ' CG1' ' A' ' 31' ' ' VAL . . . -98.0 95.86 1.7 Allowed Glycine 0 C--N 1.319 -0.393 0 CA-C-O 122.778 1.21 . . . . 0.0 110.603 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -145.93 103.14 3.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.37 0.605 . . . . 0.0 110.274 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.95 7.21 13.65 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.144 0.497 . . . . 0.0 111.798 -175.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -47.29 76.37 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.495 1.141 . . . . 0.0 111.359 174.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 8.6 t -95.28 -35.53 11.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 121.309 -0.87 . . . . 0.0 111.524 -170.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.487 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 23.3 mmt -90.86 -27.17 18.98 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 121.695 -0.628 . . . . 0.0 111.139 -173.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -104.14 165.39 11.08 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.473 -0.767 . . . . 0.0 110.627 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -178.1 138.56 0.2 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 124.394 2.045 . . . . 0.0 115.916 -167.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -94.55 164.11 13.12 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 110.114 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 62.2 t80 -59.47 -26.52 65.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.455 -0.778 . . . . 0.0 110.778 171.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.2 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.849 1.309 . . . . 0.0 109.963 173.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.53 7.44 0.11 Allowed 'General case' 0 C--O 1.25 1.108 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -175.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.511 ' CG1' ' CA ' ' A' ' 12' ' ' GLY . 43.0 t -71.04 -65.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 124.153 1.93 . . . . 0.0 108.78 173.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -46.36 -56.41 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 125.183 2.42 . . . . 0.0 108.879 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -83.51 83.44 7.89 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 120.69 -1.256 . . . . 0.0 109.739 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -56.67 -24.61 50.05 Favored 'General case' 0 C--O 1.254 1.294 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -170.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -49.11 -30.97 7.26 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.146 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.543 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -87.28 -23.9 24.52 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.839 -0.744 . . . . 0.0 111.36 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -73.57 -41.47 62.87 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -53.95 -31.4 50.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.442 169.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t-105 -76.15 -19.53 58.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.391 0.615 . . . . 0.0 112.097 -172.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -21.67 58.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.483 1.611 . . . . 0.0 113.158 -174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.44 17.16 23.42 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.307 -1.77 . . . . 0.0 112.122 174.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 33.7 t80 -138.15 -8.71 1.54 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.8 p -98.94 -149.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 120.977 -1.077 . . . . 0.0 109.989 -171.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.271 2.203 0 CA-C-O 121.928 0.87 . . . . 0.0 110.986 -174.091 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.826 0.822 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.88 60.75 1.26 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.409 1.1 . . . . 0.0 110.653 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -81.69 8.13 10.71 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.34 57.74 7.9 Favored Glycine 0 C--N 1.318 -0.431 0 O-C-N 121.407 -0.808 . . . . 0.0 112.247 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -113.05 -86.3 0.57 Allowed 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.005 -0.703 . . . . 0.0 110.999 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.51 20.67 2.92 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -83.97 10.68 9.28 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.65 173.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.21 1.005 . . . . 0.0 110.589 -175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.765 0.793 . . . . 0.0 110.108 -174.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.96 103.23 0.62 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -147.57 110.39 4.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.454 1.121 . . . . 0.0 110.725 -174.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.87 -3.52 48.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CG ' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -51.57 -33.74 33.86 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.64 0.733 . . . . 0.0 110.46 178.072 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . 0.425 ' CD1' ' CG ' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.436 ' SG ' ' CZ ' ' A' ' 45' ' ' TYR . 7.8 t -120.99 -31.13 4.24 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 120.08 1.309 . . . . 0.0 112.272 -173.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mmt -85.87 -10.42 55.37 Favored 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.99 -0.444 . . . . 0.0 111.852 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.84 168.95 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 176.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 174.41 144.13 0.05 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 124.575 2.131 . . . . 0.0 114.874 -165.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -92.94 154.69 18.03 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.227 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 36.8 t80 -49.96 -34.63 21.42 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.459 -0.775 . . . . 0.0 111.655 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.29 73.42 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.455 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 6.95 0.2 Allowed 'General case' 0 C--O 1.251 1.142 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.4 t -76.94 -68.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 124.037 1.875 . . . . 0.0 108.512 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -44.13 -52.5 7.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 125.227 2.442 . . . . 0.0 108.908 172.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.63 80.49 9.23 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.389 -1.444 . . . . 0.0 110.245 176.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t -57.2 -16.25 7.66 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -171.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -50.68 -29.61 11.61 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.018 171.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.535 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -86.47 -27.47 24.06 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.743 -172.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.0 m -73.63 -38.7 64.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -32.89 21.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.488 168.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.675 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 6.9 t-105 -77.41 -25.46 50.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.813 1.768 . . . . 0.0 109.965 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -77.23 6.91 5.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.843 1.424 . . . . 0.0 114.843 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.56 22.97 4.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 122.254 1.026 . . . . 0.0 110.403 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.675 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 17.4 t80 -141.53 -2.66 1.21 Allowed 'General case' 0 C--O 1.247 0.925 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 p -106.33 -147.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 120.804 -1.185 . . . . 0.0 109.737 -171.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.042 0.925 . . . . 0.0 110.934 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 3' ' ' SER . 6.0 p90 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.655 1.217 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 52.76 43.04 31.86 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 1' ' ' TYR . 17.2 m -89.21 -38.53 14.19 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.037 -1.039 . . . . 0.0 111.15 170.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -72.55 0.02 OUTLIER Glycine 0 CA--C 1.498 -1.009 1 N-CA-C 127.066 5.586 . . . . 0.0 127.066 -172.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.249 1.051 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -165.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.16 32.23 0.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 119.995 -1.691 . . . . 0.0 113.631 -169.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.82 -6.92 48.16 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.61 174.02 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 122.298 1.047 . . . . 0.0 110.727 -174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 pt20 -72.84 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.728 0.775 . . . . 0.0 109.975 -174.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.512 ' CA ' ' CG1' ' A' ' 31' ' ' VAL . . . -125.91 100.72 0.59 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-O 122.276 0.931 . . . . 0.0 110.83 -175.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.52 103.6 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.319 1.057 . . . . 0.0 111.034 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -69.98 -12.4 61.58 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 174.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -80.41 -38.55 30.04 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.813 0.816 . . . . 0.0 111.132 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 t -124.91 -33.55 2.91 Favored 'General case' 0 C--O 1.253 1.285 0 O-C-N 121.208 -0.933 . . . . 0.0 112.944 -172.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -79.13 0.14 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 123.26 1.505 . . . . 0.0 108.467 -176.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.3 163.39 16.77 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.141 -0.975 . . . . 0.0 110.709 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -176.11 139.87 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 124.349 2.023 . . . . 0.0 115.579 -166.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -93.56 159.48 15.21 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.797 170.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CE1' ' CG2' ' A' ' 38' ' ' THR . 30.7 t80 -51.92 -47.28 64.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.323 1.059 . . . . 0.0 111.242 172.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.04 76.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.18 33.53 0.34 Allowed 'General case' 0 C--O 1.25 1.113 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.605 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.512 ' CG1' ' CA ' ' A' ' 12' ' ' GLY . 88.3 t -67.94 -32.96 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 124.733 2.206 . . . . 0.0 109.3 170.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.31 -52.13 4.49 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 125.131 2.396 . . . . 0.0 107.548 -172.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.42 83.02 8.07 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 120.805 -1.184 . . . . 0.0 109.514 174.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -54.13 -15.6 1.58 Allowed 'General case' 0 C--O 1.256 1.42 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -34.57 12.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.402 173.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.482 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 2.9 t -84.88 -27.18 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.169 -170.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.5 m -70.13 -39.37 75.46 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 174.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -32.29 40.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.263 169.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.646 ' CE2' ' CG2' ' A' ' 46' ' ' VAL . 20.4 t-105 -77.06 -18.75 57.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.312 1.053 . . . . 0.0 110.978 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 13.85 6.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.887 0.851 . . . . 0.0 113.294 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.11 26.05 5.49 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 123.269 1.509 . . . . 0.0 110.116 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 64.4 t80 -144.96 -59.96 0.36 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.854 1.788 . . . . 0.0 108.915 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 42' ' ' TRP . 6.4 t -86.51 -135.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 124.489 1.116 . . . . 0.0 108.774 169.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.27 2.133 0 CA-C-O 122.132 0.968 . . . . 0.0 110.941 178.62 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.9 t80 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.685 0.755 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.05 88.34 5.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.318 1.056 . . . . 0.0 111.38 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -86.56 -6.3 58.92 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.29 41.13 8.27 Favored Glycine 0 C--O 1.239 0.416 0 O-C-N 121.304 -0.872 . . . . 0.0 112.134 -173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -113.54 -93.25 0.48 Allowed 'General case' 0 C--O 1.243 0.722 0 O-C-N 121.867 -0.784 . . . . 0.0 111.18 -174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.39 2.06 11.84 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.39 -15.56 63.33 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.243 0.544 . . . . 0.0 112.426 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.31 177.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.113 0.958 . . . . 0.0 110.576 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -72.22 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.585 0.707 . . . . 0.0 109.884 -176.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.23 97.53 1.19 Allowed Glycine 0 C--N 1.318 -0.42 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -136.21 88.22 2.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.253 1.025 . . . . 0.0 111.283 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.49 -13.02 60.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -6.77 56.67 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 16.7 t -110.76 -30.39 7.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.74 1.216 . . . . 0.0 112.88 -171.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 tpp -106.41 5.23 29.25 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.563 -0.71 . . . . 0.0 111.898 -170.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 167.62 22.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.773 0.797 . . . . 0.0 111.178 -174.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 175.23 142.15 0.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 125.145 2.402 . . . . 0.0 114.999 -165.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.462 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 5.6 p -93.52 161.97 14.15 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.548 -1.345 . . . . 0.0 110.754 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.452 ' N ' ' CZ2' ' A' ' 42' ' ' TRP . 57.8 t80 -61.84 -27.79 69.03 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.512 -0.743 . . . . 0.0 111.575 172.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -57.86 -40.57 80.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.168 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 12.65 0.12 Allowed 'General case' 0 C--O 1.25 1.098 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 t -64.85 -23.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 125.018 2.342 . . . . 0.0 110.129 171.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.65 -53.98 2.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 125.211 2.434 . . . . 0.0 109.037 -170.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -84.41 80.08 9.34 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 120.695 -1.253 . . . . 0.0 109.768 173.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -56.68 -17.13 7.76 Favored 'General case' 0 C--O 1.255 1.364 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -170.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.2 mmt-85 -49.98 -31.3 12.3 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.906 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.402 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 3.2 t -88.62 -26.1 22.09 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.161 -0.616 . . . . 0.0 112.462 -171.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.9 m -69.86 -39.77 76.18 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 173.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -53.98 -30.26 46.41 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.141 170.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 13.6 t-105 -74.74 -9.24 58.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.67 0.748 . . . . 0.0 112.618 -172.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -14.15 44.58 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 123.409 1.576 . . . . 0.0 113.338 -173.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.42 -33.77 10.91 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.601 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 28.2 t80 -82.33 -25.39 33.94 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.44 -146.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.631 -0.668 . . . . 0.0 109.264 -173.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.037 0.922 . . . . 0.0 110.962 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.421 0.629 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -100.85 70.99 1.42 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.307 1.051 . . . . 0.0 110.933 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -86.26 -28.56 23.71 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.146 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.95 29.88 7.81 Favored Glycine 0 C--O 1.24 0.518 0 O-C-N 121.54 -0.725 . . . . 0.0 112.92 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.19 -129.34 0.0 OUTLIER 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.87 31.16 2.16 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.217 -0.927 . . . . 0.0 111.039 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -91.61 -32.25 15.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.845 1.307 . . . . 0.0 110.262 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -86.08 -7.56 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.607 1.194 . . . . 0.0 114.177 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -36.49 96.88 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 123.014 1.388 . . . . 0.0 112.445 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.92 6.92 0.07 OUTLIER Glycine 0 C--O 1.248 1.022 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 171.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -115.87 90.13 3.27 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 120.712 -1.463 . . . . 0.0 109.508 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.83 19.38 1.1 Allowed 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -172.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -89.95 -33.34 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.779 0.8 . . . . 0.0 110.774 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.9 t -169.42 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.256 1.445 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 170.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 mmt -83.89 -46.26 12.32 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.818 1.294 . . . . 0.0 110.346 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.98 163.79 0.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 169.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 164.41 142.54 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 123.952 1.834 . . . . 0.0 114.198 -167.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 p -92.85 155.42 17.63 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.624 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.449 ' N ' ' CH2' ' A' ' 42' ' ' TRP . 68.3 t80 -55.46 -27.74 50.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.949 0.881 . . . . 0.0 110.474 172.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.66 83.02 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.352 0.596 . . . . 0.0 110.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -72.15 21.99 0.06 Allowed 'General case' 0 C--O 1.254 1.317 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 t -71.22 -27.75 30.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 124.785 2.231 . . . . 0.0 110.254 171.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.03 -53.66 2.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 125.418 2.532 . . . . 0.0 107.648 -172.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.17 81.36 8.87 Favored 'General case' 0 C--N 1.314 -0.935 0 O-C-N 120.699 -1.251 . . . . 0.0 109.117 173.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 t -54.28 -13.81 0.99 Allowed 'General case' 0 C--O 1.255 1.36 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -35.77 20.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.358 172.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 ' CG2' ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -85.86 -27.66 24.92 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 118.83 -0.605 . . . . 0.0 112.434 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.9 m -70.21 -35.74 74.11 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -50.24 -31.99 15.46 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.625 170.082 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.449 ' CH2' ' N ' ' A' ' 25' ' ' PHE . 16.5 t-105 -75.61 -28.07 58.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.187 0.994 . . . . 0.0 110.613 -171.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 12.48 3.7 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.2 27.11 4.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.412 1.101 . . . . 0.0 109.807 169.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 29.6 t80 -156.76 13.22 0.27 Allowed 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.872 0.844 . . . . 0.0 112.835 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.48 -149.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.837 0 O-C-N 120.304 -1.497 . . . . 0.0 109.717 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.27 2.181 0 CA-C-O 121.998 0.904 . . . . 0.0 111.032 -173.694 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 10.3 p90 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 121.762 0.792 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.03 67.27 0.97 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.241 1.019 . . . . 0.0 111.13 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -63.17 -29.21 70.61 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.291 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.97 62.32 0.97 Allowed Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.023 0.79 . . . . 0.0 111.171 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -134.9 -90.39 0.33 Allowed 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.956 -0.732 . . . . 0.0 111.137 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.319 -0.747 0 CA-C-O 122.279 1.037 . . . . 0.0 111.537 -174.648 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 C--O 1.243 0.729 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.33 177.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 122.294 1.045 . . . . 0.0 110.519 176.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.428 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 mm-40 -71.95 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.599 0.714 . . . . 0.0 109.797 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.705 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -120.78 103.41 0.91 Allowed Glycine 0 C--N 1.318 -0.466 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -174.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -138.29 104.53 5.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.427 1.108 . . . . 0.0 110.781 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 2.8 mt . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 5.8 t . . . . . 0 C--O 1.257 1.477 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.964 0.888 . . . . 0.0 109.642 -174.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.664 0 CA-C-O 121.472 0.653 . . . . 0.0 111.05 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 175.77 145.27 0.07 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 125.191 2.424 . . . . 0.0 115.368 -165.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -92.59 161.32 14.64 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.596 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE1' HG23 ' A' ' 38' ' ' THR . 42.3 t80 . . . . . 0 C--N 1.319 -0.745 0 CA-C-O 121.979 0.895 . . . . 0.0 110.35 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 122.028 0.918 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.207 0 N-CA-C 115.473 1.656 . . . . 0.0 115.473 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.705 HG13 ' HA3' ' A' ' 12' ' ' GLY . 55.2 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 124.658 2.171 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 124.633 2.158 . . . . 0.0 109.27 174.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.747 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.251 1.134 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -170.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 25.7 mmt180 . . . . . 0 C--O 1.245 0.866 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.953 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -89.51 -24.22 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.572 -170.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.316 -0.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 176.579 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 7.0 t-105 -76.2 -27.54 56.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.705 1.24 . . . . 0.0 110.558 -172.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -83.07 13.36 4.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.2 14.91 4.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.049 0.928 . . . . 0.0 110.579 169.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 3.2 t80 -137.93 -9.28 1.57 Allowed 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.78 -142.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 O-C-N 120.652 -1.28 . . . . 0.0 110.132 -170.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' N ' HG13 ' A' ' 46' ' ' VAL . 4.9 t70 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.058 0.932 . . . . 0.0 110.883 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 16.9 t80 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 122.116 0.96 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.496 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.6 t-20 -91.29 83.12 5.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.417 1.103 . . . . 0.0 110.975 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -84.66 3.88 35.05 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.909 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.47 33.96 8.97 Favored Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.444 -0.785 . . . . 0.0 111.736 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -89.57 -87.73 0.17 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.925 -0.75 . . . . 0.0 110.931 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 122.483 1.135 . . . . 0.0 110.862 -175.206 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 C--O 1.247 0.934 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.58 173.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 122.353 1.073 . . . . 0.0 110.686 -174.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.6 mt-30 -77.79 16.92 0.61 Allowed 'General case' 0 C--O 1.248 0.998 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.915 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 86.56 123.01 1.5 Allowed Glycine 0 N--CA 1.464 0.515 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -157.49 95.62 1.47 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.893 0.854 . . . . 0.0 111.265 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.357 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 8.6 t . . . . . 0 CA--C 1.508 -0.662 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 31.3 mmt . . . . . 0 C--O 1.244 0.788 0 O-C-N 121.45 -0.781 . . . . 0.0 111.507 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 6.3 ttmt . . . . . 0 C--O 1.241 0.616 0 CA-C-O 121.4 0.619 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 176.92 137.95 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 124.387 2.042 . . . . 0.0 115.594 -169.029 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p -94.48 165.43 12.55 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 120.708 -1.245 . . . . 0.0 110.201 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.0 t80 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.851 0.834 . . . . 0.0 110.501 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.524 0.678 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 38' ' ' THR . 7.3 ttp180 . . . . . 0 C--O 1.256 1.428 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.915 HG13 ' HA3' ' A' ' 12' ' ' GLY . 85.8 t . . . . . 0 C--O 1.236 0.357 0 CA-C-O 124.663 2.173 . . . . 0.0 110.07 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.829 0 CA-C-O 125.085 2.374 . . . . 0.0 108.3 -170.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.851 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.745 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.254 1.341 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 17.6 mmm180 . . . . . 0 C--O 1.246 0.87 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.904 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.0 t -91.6 -24.91 19.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.893 -169.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.317 -0.816 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 174.609 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 121.172 0.511 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 5.8 t-105 -75.74 -29.68 58.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.755 1.264 . . . . 0.0 110.335 -173.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 7.13 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.42 1.105 . . . . 0.0 113.365 -174.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -116.86 -29.34 6.05 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.062 0.934 . . . . 0.0 111.324 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 28.6 t80 -92.19 -14.52 28.92 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 47' ' ' ASP . 4.4 p -87.09 -147.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.454 -0.779 . . . . 0.0 109.847 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 46' ' ' VAL . 33.5 t70 . . . . . 0 C--O 1.27 2.172 0 CA-C-O 121.868 0.842 . . . . 0.0 110.88 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.72 0.771 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.69 47.13 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.327 1.061 . . . . 0.0 111.144 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.69 -30.49 59.37 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.515 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 33.81 6.09 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 -89.65 0.3 Allowed 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.487 -1.008 . . . . 0.0 111.243 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 122.558 1.17 . . . . 0.0 111.054 -172.244 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 121.648 0.737 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -80.05 177.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.475 1.131 . . . . 0.0 110.282 174.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' H ' HG12 ' A' ' 10' ' ' VAL . 19.0 mt-30 -70.46 -165.34 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 123.331 1.539 . . . . 0.0 109.857 -172.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -106.53 95.32 1.02 Allowed Glycine 0 C--N 1.319 -0.404 0 CA-C-O 122.878 1.266 . . . . 0.0 110.062 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -146.82 111.56 5.3 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.495 1.141 . . . . 0.0 110.325 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 41' ' ' PHE . 5.2 mt . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t . . . . . 0 C--O 1.246 0.884 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.46 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 mmt . . . . . 0 C--O 1.245 0.851 0 O-C-N 121.813 -0.554 . . . . 0.0 111.662 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 121.979 0.895 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 172.12 142.88 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 124.533 2.111 . . . . 0.0 115.005 -166.011 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -92.79 155.81 17.42 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.524 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.1 t80 . . . . . 0 C--N 1.318 -0.774 0 CA-C-O 122.307 1.051 . . . . 0.0 110.506 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.521 HG13 ' HA3' ' A' ' 12' ' ' GLY . 24.5 t . . . . . 0 C--O 1.236 0.343 0 CA-C-O 124.837 2.256 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 124.848 2.261 . . . . 0.0 108.154 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.518 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.838 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -170.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 9.1 mmt180 . . . . . 0 C--O 1.244 0.791 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.1 t -87.25 -24.96 24.21 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.745 -172.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 173.35 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.236 0.363 0 CA-C-O 122.132 0.968 . . . . 0.0 109.383 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.659 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.2 t-105 -78.24 -30.11 48.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.125 0.964 . . . . 0.0 111.314 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -75.27 -7.71 54.65 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.792 1.758 . . . . 0.0 112.385 -171.096 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.72 -28.08 11.88 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.486 170.248 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.5 t80 -91.19 -4.09 56.41 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.6 p -120.03 -142.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 O-C-N 121.028 -1.045 . . . . 0.0 109.529 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 46' ' ' VAL . 39.4 t0 . . . . . 0 C--O 1.271 2.227 0 O-C-N 121.196 -0.94 . . . . 0.0 111.203 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.683 0.754 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -89.12 85.93 6.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.489 1.138 . . . . 0.0 112.445 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -86.81 -29.05 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.966 0.889 . . . . 0.0 110.5 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.56 29.17 24.99 Favored Glycine 0 C--O 1.243 0.66 0 O-C-N 121.807 -0.558 . . . . 0.0 113.378 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -115.72 -93.35 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.662 -0.905 . . . . 0.0 112.698 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.98 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 1.1 m-30 . . . . . 0 C--O 1.245 0.837 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -116.23 173.5 3.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.319 1.057 . . . . 0.0 110.828 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.8 mt-30 -72.95 -140.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.954 0.883 . . . . 0.0 110.209 -174.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -123.6 101.68 0.71 Allowed Glycine 0 C--N 1.319 -0.398 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.235 1.017 . . . . 0.0 111.243 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.534 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t . . . . . 0 C--O 1.247 0.962 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.488 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 32.1 mmt . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 122.606 1.193 . . . . 0.0 109.328 -174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 121.509 0.671 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 172.83 136.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 123.858 1.789 . . . . 0.0 115.044 -169.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 p -93.6 165.74 12.58 Favored 'General case' 0 C--O 1.243 0.732 0 O-C-N 121.1 -1.0 . . . . 0.0 110.084 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.862 ' CE1' HG23 ' A' ' 38' ' ' THR . 69.8 t80 . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.019 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 . . . . . 0 C--O 1.254 1.337 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 174.268 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG22 ' HA2' ' A' ' 12' ' ' GLY . 11.4 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 124.683 2.182 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 125.714 2.673 . . . . 0.0 108.527 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 22.3 t-20 . . . . . 0 C--O 1.245 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.746 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.255 1.359 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 121.124 0.488 . . . . 0.0 111.716 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.862 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -85.83 -26.64 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.317 -0.84 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 173.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.241 0.653 0 CA-C-O 121.232 0.539 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t-105 -76.65 -21.26 55.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.114 0.959 . . . . 0.0 111.065 -172.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 11.52 4.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.79 32.04 2.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 122.652 1.215 . . . . 0.0 109.76 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 73.6 t80 -145.41 -44.78 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.879 -173.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -7.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -174.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OXT' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.185 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.324 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.47 ' HB2' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 121.358 0.599 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.16 90.14 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.216 1.008 . . . . 0.0 112.237 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.13 -29.72 21.6 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.337 0.589 . . . . 0.0 111.245 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.12 42.91 2.7 Favored Glycine 0 C--O 1.243 0.708 0 O-C-N 121.543 -0.723 . . . . 0.0 113.705 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -79.69 0.34 Allowed 'General case' 0 C--O 1.244 0.766 0 O-C-N 121.766 -0.843 . . . . 0.0 111.064 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 O-C-N 121.579 -0.701 . . . . 0.0 112.034 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 C--O 1.242 0.687 0 CA-C-O 121.501 0.667 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -109.76 174.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.247 1.022 . . . . 0.0 110.49 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.425 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -77.2 19.7 0.31 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -173.001 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.746 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 68.94 109.28 0.02 OUTLIER Glycine 0 C--N 1.317 -0.493 0 CA-C-O 122.489 1.05 . . . . 0.0 111.177 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.2 104.59 3.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.422 1.106 . . . . 0.0 110.496 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' CYS . 38.5 mt . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 -173.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t . . . . . 0 C--O 1.246 0.896 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HE2' ' C ' ' A' ' 18' ' ' CYS . 33.4 mmt . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 122.872 1.32 . . . . 0.0 109.228 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 CA-C-O 121.415 0.626 . . . . 0.0 111.35 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 173.53 142.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 124.462 2.077 . . . . 0.0 114.216 -166.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.485 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 19.7 p -91.84 164.47 13.67 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.33 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 38' ' ' THR . 40.4 t80 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.786 0.803 . . . . 0.0 110.225 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' HA2' ' A' ' 12' ' ' GLY . 17.8 t . . . . . 0 C--O 1.234 0.277 0 CA-C-O 124.859 2.266 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 126.474 3.035 . . . . 0.0 108.7 -170.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.254 1.305 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -170.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mmt180 . . . . . 0 C--O 1.247 0.942 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.02 -26.17 22.73 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.096 -172.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.318 -0.79 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 121.75 0.786 . . . . 0.0 109.855 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 15.9 t-105 -76.21 -22.68 54.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.602 1.667 . . . . 0.0 110.352 -174.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.4 13.23 0.99 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 173.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -131.69 4.5 4.24 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.411 0.684 . . . . 0.0 112.141 171.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 40.3 t80 -119.08 -34.9 3.75 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.383 -0.823 . . . . 0.0 112.331 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -77.39 1.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.475 1.131 . . . . 0.0 113.613 -175.137 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.272 2.259 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.794 0.807 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -85.0 88.91 7.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.459 1.123 . . . . 0.0 111.739 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -86.97 -28.12 22.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.609 0.718 . . . . 0.0 111.223 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.58 36.7 42.66 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 121.795 0.664 . . . . 0.0 111.607 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.32 -88.08 0.29 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.004 -0.704 . . . . 0.0 111.077 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 122.25 1.024 . . . . 0.0 110.848 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.32 1.057 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.82 -7.23 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 123.545 1.641 . . . . 0.0 113.96 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -37.86 135.4 0.65 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 123.768 1.747 . . . . 0.0 111.485 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.656 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 125.95 17.23 2.55 Favored Glycine 0 C--O 1.238 0.398 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.943 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -129.65 101.31 5.86 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.308 1.051 . . . . 0.0 110.86 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 111.683 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t . . . . . 0 CA--C 1.507 -0.685 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.473 ' HE1' ' CZ ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.812 0 CA-C-O 121.783 0.801 . . . . 0.0 112.088 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 122.285 1.04 . . . . 0.0 112.619 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 174.49 134.75 0.04 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 123.481 1.61 . . . . 0.0 114.197 -170.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -93.05 164.57 13.22 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.358 170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.842 ' CE2' HG23 ' A' ' 38' ' ' THR . 40.6 t80 . . . . . 0 C--N 1.314 -0.959 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 121.342 0.592 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -178.272 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG22 ' HA2' ' A' ' 12' ' ' GLY . 14.6 t . . . . . 0 C--O 1.236 0.382 0 CA-C-O 124.776 2.226 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 125.234 2.445 . . . . 0.0 108.734 -170.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.6 t-20 . . . . . 0 C--O 1.242 0.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.75 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.251 1.141 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.543 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 8.0 mmm180 . . . . . 0 C--O 1.244 0.793 0 CA-C-O 121.018 0.437 . . . . 0.0 111.842 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.842 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -89.76 -20.77 23.15 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.436 -169.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 5.3 m . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 121.156 0.503 . . . . 0.0 112.068 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.473 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.4 OUTLIER . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 121.807 0.813 . . . . 0.0 109.44 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 19.8 t-105 -77.35 -22.43 51.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.536 1.636 . . . . 0.0 110.638 -173.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.62 8.29 3.05 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -133.04 32.6 3.74 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 123.469 1.604 . . . . 0.0 108.506 170.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 86.9 t80 -179.67 71.71 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.398 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.2 p -148.54 -150.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 121.523 -0.736 . . . . 0.0 109.874 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 46' ' ' VAL . 7.8 t0 . . . . . 0 C--O 1.269 2.124 0 CA-C-O 122.038 0.923 . . . . 0.0 111.396 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.345 1.069 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -103.85 76.33 1.36 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.708 1.242 . . . . 0.0 110.315 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.43 -34.19 60.97 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.391 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.38 70.41 1.07 Allowed Glycine 0 CA--C 1.508 -0.346 0 CA-C-O 122.15 0.861 . . . . 0.0 112.283 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -130.28 -89.6 0.48 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.818 -0.813 . . . . 0.0 111.084 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.245 0.84 0 O-C-N 121.601 -0.687 . . . . 0.0 112.827 176.65 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--O 1.237 0.408 0 CA-C-O 123.041 1.401 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -94.09 -2.66 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.09 15.81 0.08 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.479 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . -99.11 65.86 0.67 Allowed Glycine 0 C--N 1.318 -0.465 0 CA-C-O 122.831 1.239 . . . . 0.0 111.717 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -161.8 116.19 1.93 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.809 -0.696 . . . . 0.0 110.445 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 121.59 0.71 . . . . 0.0 112.641 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.7 t . . . . . 0 C--O 1.256 1.437 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.743 0 O-C-N 120.235 -1.54 . . . . 0.0 110.336 -176.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--O 1.235 0.327 0 CA-C-O 124.174 1.94 . . . . 0.0 114.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -171.67 142.46 1.58 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.843 1.782 . . . . 0.0 113.45 -166.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 p -92.22 160.3 15.23 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.114 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.7 t80 . . . . . 0 C--N 1.318 -0.762 0 CA-C-O 121.974 0.892 . . . . 0.0 110.086 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 121.418 0.627 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 3.1 t . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 124.833 2.254 . . . . 0.0 108.704 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 125.036 2.35 . . . . 0.0 108.609 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 12.3 t-20 . . . . . 0 C--O 1.244 0.795 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' THR . 2.9 t . . . . . 0 C--O 1.252 1.226 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.659 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.2 t -85.85 -28.65 24.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.169 -172.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 174.334 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.584 0 CA-C-O 121.414 0.626 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.5 t-105 -76.74 -25.27 53.3 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.891 1.805 . . . . 0.0 110.009 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -80.89 11.79 3.72 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.008 -1.057 . . . . 0.0 113.501 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.3 27.29 3.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.276 1.036 . . . . 0.0 110.193 171.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 32.2 t80 -155.43 14.54 0.37 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.204 1.002 . . . . 0.0 112.417 -173.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.6 p -121.3 -150.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.778 0 O-C-N 120.6 -1.312 . . . . 0.0 109.612 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 46' ' ' VAL . 23.1 m-20 . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.057 0.932 . . . . 0.0 111.085 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.7 0.762 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -128.76 67.04 1.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.488 1.137 . . . . 0.0 110.641 -173.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -59.25 -25.97 64.51 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.363 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.0 40.93 93.44 Favored Glycine 0 C--N 1.319 -0.395 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.638 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.37 -82.5 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.029 -0.689 . . . . 0.0 111.065 175.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 5' ' ' LYS . 1.2 pt? . . . . . 0 C--O 1.243 0.758 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.94 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.4 t -111.7 168.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 123.383 1.563 . . . . 0.0 111.444 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 12' ' ' GLY . 56.3 mt-30 -77.11 93.95 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 124.191 0.996 . . . . 0.0 113.035 -172.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -1.53 98.19 0.01 OUTLIER Glycine 0 C--N 1.316 -0.54 0 C-N-CA 125.476 1.512 . . . . 0.0 113.175 169.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -153.19 117.16 4.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.272 1.034 . . . . 0.0 109.95 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.706 -173.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t . . . . . 0 CA--C 1.508 -0.668 0 CA-C-O 121.487 0.661 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.44 ' HE2' ' O ' ' A' ' 14' ' ' LEU . 4.3 mmt . . . . . 0 C--O 1.245 0.863 0 O-C-N 121.779 -0.576 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 121.544 0.688 . . . . 0.0 112.733 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 171.48 145.79 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 124.868 2.27 . . . . 0.0 114.347 -166.109 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -92.67 156.16 17.25 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 114.117 -1.402 . . . . 0.0 110.172 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.3 t80 . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 122.029 0.919 . . . . 0.0 110.685 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.257 1.45 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.824 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG22 ' HA2' ' A' ' 12' ' ' GLY . 49.9 t . . . . . 0 C--O 1.234 0.283 0 CA-C-O 124.752 2.215 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.833 0 CA-C-O 125.25 2.452 . . . . 0.0 108.064 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.926 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.757 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 15.1 mmt85 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 120.904 0.383 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.3 t -88.4 -25.14 22.84 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.381 -171.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 173.178 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 121.723 0.773 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.793 ' O ' HG12 ' A' ' 46' ' ' VAL . 5.2 t-105 -76.77 -26.58 54.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.349 1.071 . . . . 0.0 111.131 -173.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -16.73 63.28 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.503 1.62 . . . . 0.0 113.397 -174.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -114.12 34.93 4.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.38 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.67 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.2 t80 -148.99 -70.28 0.21 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.097 0.951 . . . . 0.0 110.71 -174.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER 13.67 123.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 C-N-CA 129.068 2.947 . . . . 0.0 117.038 171.674 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.27 2.17 0 O-C-N 120.446 -1.409 . . . . 0.0 110.964 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 43.5 p90 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 121.638 0.733 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.0 t-20 -173.24 77.69 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.968 0.89 . . . . 0.0 111.677 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -87.38 -31.39 20.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 0.0 110.917 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.03 29.65 40.97 Favored Glycine 0 C--O 1.241 0.551 0 CA-C-O 121.667 0.593 . . . . 0.0 113.013 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -96.07 -88.42 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.665 -0.903 . . . . 0.0 110.921 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 122.776 1.274 . . . . 0.0 110.935 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.783 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.6 t -81.26 -177.37 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-O 122.072 0.939 . . . . 0.0 110.234 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.8 mt-30 -76.23 14.2 0.78 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 59.68 97.78 0.01 OUTLIER Glycine 0 C--N 1.317 -0.498 0 CA-C-O 122.534 1.074 . . . . 0.0 110.752 -174.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -150.8 95.24 2.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.026 0.917 . . . . 0.0 110.704 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.74 0.781 . . . . 0.0 110.805 -175.899 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.581 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.6 t . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 122.926 1.346 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HE3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.846 0 CA-C-O 123.468 1.604 . . . . 0.0 110.883 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.063 0.458 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 171.52 135.54 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 124.133 1.92 . . . . 0.0 115.057 -170.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.9 p -94.28 153.61 17.94 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.601 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.997 ' CE1' HG23 ' A' ' 38' ' ' THR . 70.1 t80 . . . . . 0 C--N 1.312 -1.05 0 CA-C-O 123.968 1.842 . . . . 0.0 107.145 168.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 121.208 0.528 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.549 ' HD3' ' HB ' ' A' ' 35' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 O-C-N 121.008 -1.058 . . . . 0.0 113.4 -172.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 12' ' ' GLY . 8.8 t . . . . . 0 C--O 1.235 0.322 0 CA-C-O 124.244 1.973 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 37' ' ' ARG . 6.5 t80 . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 126.403 3.001 . . . . 0.0 108.967 170.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.759 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.5 t . . . . . 0 C--O 1.25 1.121 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 10.2 mmt85 . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 121.539 0.685 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.997 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.3 t -87.96 -17.17 31.87 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -166.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.624 0.726 . . . . 0.0 110.584 171.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.686 0.755 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 11.4 t-105 -77.23 -23.79 51.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 123.102 1.43 . . . . 0.0 110.754 -171.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.23 14.95 2.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.171 0.986 . . . . 0.0 113.601 175.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -138.93 18.3 2.64 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.907 0.861 . . . . 0.0 110.632 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 11.9 t80 -138.26 -3.19 1.77 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.4 p -99.52 -140.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.922 -1.111 . . . . 0.0 109.611 -172.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.517 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.5 t0 . . . . . 0 C--O 1.271 2.205 0 CA-C-O 121.92 0.867 . . . . 0.0 111.055 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 22' ' ' LYS . 2.6 p90 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 123.167 1.461 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.88 51.22 17.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.276 1.036 . . . . 0.0 111.891 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -66.95 -32.71 74.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.748 0.785 . . . . 0.0 112.202 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 47.33 3.45 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 6' ' ' LEU . 5.7 ttpt -116.98 -91.56 0.54 Allowed 'General case' 0 C--O 1.244 0.787 0 O-C-N 122.0 -0.706 . . . . 0.0 111.007 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 4.8 mt . . . . . 0 C--N 1.318 -0.764 0 O-C-N 121.408 -0.808 . . . . 0.0 112.795 -175.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.711 0 CA-C-O 121.36 0.6 . . . . 0.0 112.194 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -129.15 172.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 122.308 1.052 . . . . 0.0 110.58 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 26.5 mt-30 -72.89 -139.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.304 1.05 . . . . 0.0 110.34 -174.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.84 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -111.08 97.86 0.99 Allowed Glycine 0 C--N 1.318 -0.432 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.29 99.14 4.59 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.252 1.025 . . . . 0.0 111.04 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -174.353 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t . . . . . 0 C--O 1.246 0.883 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 29.6 mmt . . . . . 0 C--O 1.241 0.614 0 O-C-N 121.069 -1.019 . . . . 0.0 111.089 -171.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 1' ' ' TYR . 5.1 ttpt . . . . . 0 CA--C 1.512 -0.517 0 CA-C-O 121.397 0.618 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 169.49 141.06 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 123.847 1.785 . . . . 0.0 113.75 -167.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 10.3 p -93.21 165.14 12.96 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.095 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.9 t80 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.797 0.808 . . . . 0.0 110.643 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.316 0.579 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.28 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.84 HG13 ' HA3' ' A' ' 12' ' ' GLY . 5.2 t . . . . . 0 C--O 1.236 0.375 0 CA-C-O 124.463 2.077 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.316 -0.864 0 CA-C-O 125.78 2.705 . . . . 0.0 107.782 -170.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 8.7 t-20 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.7 t . . . . . 0 C--O 1.256 1.427 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -85.67 -28.75 24.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.286 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.246 0.877 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 174.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.707 0 CA-C-O 121.264 0.554 . . . . 0.0 110.52 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.7 t-105 -76.31 -25.86 55.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.993 0.901 . . . . 0.0 110.613 -172.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.34 12.42 2.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -118.31 -37.79 3.29 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.403 1.097 . . . . 0.0 110.464 171.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 23.1 t80 -80.18 -23.89 40.7 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 47' ' ' ASP . 7.1 p -80.32 -136.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.423 -0.798 . . . . 0.0 108.974 -173.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 46' ' ' VAL . 11.3 t70 . . . . . 0 C--O 1.27 2.159 0 CA-C-O 121.98 0.895 . . . . 0.0 110.974 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 36.9 p90 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.543 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 8.8 t-20 -178.8 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.072 0.939 . . . . 0.0 111.085 -173.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -33.87 18.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.78 0.8 . . . . 0.0 111.122 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.69 23.0 8.54 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 121.727 -0.608 . . . . 0.0 112.759 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.6 -72.53 0.22 Allowed 'General case' 0 C--O 1.245 0.817 0 O-C-N 121.633 -0.922 . . . . 0.0 110.895 -178.656 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 9' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 122.409 1.099 . . . . 0.0 110.631 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 6' ' ' LEU . 24.2 m-85 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -88.67 172.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.491 1.138 . . . . 0.0 110.932 -173.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -78.0 14.33 1.16 Allowed 'General case' 0 C--O 1.246 0.899 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -173.15 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.587 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 74.24 115.7 0.08 OUTLIER Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -174.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -146.7 108.25 4.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.89 0.852 . . . . 0.0 110.685 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.729 0.776 . . . . 0.0 111.847 -173.802 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 6.2 t . . . . . 0 C--O 1.247 0.948 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.44 ' HE2' ' N ' ' A' ' 19' ' ' MET . 1.6 tpp . . . . . 0 C--N 1.318 -0.781 0 O-C-N 120.92 -1.113 . . . . 0.0 112.905 -170.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 121.457 0.646 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 178.07 143.48 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.77 2.7 . . . . 0.0 115.082 -166.771 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.0 p -92.79 154.25 18.39 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.914 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 5.4 t80 . . . . . 0 C--N 1.318 -0.765 0 O-C-N 121.409 -0.807 . . . . 0.0 111.647 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.624 0 CA-C-O 122.778 1.275 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.314 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.587 HG22 ' HA2' ' A' ' 12' ' ' GLY . 70.3 t . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 124.289 1.995 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.559 0 CA-C-O 125.296 2.474 . . . . 0.0 108.895 172.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.675 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.255 1.379 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 12.0 mmm180 . . . . . 0 C--O 1.242 0.685 0 CA-C-O 120.668 0.271 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 35' ' ' THR . 4.2 t -86.16 -30.85 22.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.215 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 174.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.244 0.777 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.652 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 4.7 t-105 -76.57 -29.56 56.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.236 1.493 . . . . 0.0 110.226 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 14.09 4.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 122.228 1.013 . . . . 0.0 113.613 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -134.84 17.81 3.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.443 1.116 . . . . 0.0 109.879 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 2.1 t80 -139.51 -16.83 1.02 Allowed 'General case' 0 C--O 1.252 1.212 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.9 p -81.82 -139.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 O-C-N 120.691 -1.255 . . . . 0.0 109.399 -172.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' VAL . 15.2 t0 . . . . . 0 C--O 1.27 2.168 0 CA-C-O 122.037 0.922 . . . . 0.0 111.005 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.442 ' HB2' ' HE2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 121.953 0.883 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -171.39 71.56 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.52 1.152 . . . . 0.0 110.732 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -55.2 -28.58 54.05 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.648 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.78 29.71 20.22 Favored Glycine 0 C--O 1.24 0.488 0 O-C-N 121.586 -0.696 . . . . 0.0 112.729 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -87.24 -85.8 0.16 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.708 -0.878 . . . . 0.0 111.27 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.269 1.033 . . . . 0.0 111.139 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -97.22 173.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.586 1.184 . . . . 0.0 110.972 -173.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.9 pt20 -78.08 19.89 0.4 Allowed 'General case' 0 C--O 1.25 1.086 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.576 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 81.23 106.68 0.33 Allowed Glycine 0 C--N 1.318 -0.442 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -174.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -146.07 106.33 4.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.153 0.978 . . . . 0.0 110.582 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 5.3 mt . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 6.4 t . . . . . 0 C--O 1.259 1.58 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.559 ' HE3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 122.311 1.053 . . . . 0.0 109.431 -173.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.66 0 CA-C-O 121.243 0.544 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.557 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 175.46 143.47 0.06 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.823 2.249 . . . . 0.0 115.85 -166.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 p -93.85 152.7 18.71 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.982 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.959 ' CE1' HG23 ' A' ' 38' ' ' THR . 54.5 t80 . . . . . 0 C--N 1.317 -0.806 0 O-C-N 121.575 -0.703 . . . . 0.0 111.717 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.299 1.047 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 . . . . . 0 C--O 1.252 1.215 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -174.424 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HA3' ' A' ' 12' ' ' GLY . 23.7 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 124.092 1.901 . . . . 0.0 108.632 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 125.351 2.5 . . . . 0.0 108.733 172.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.0 t-20 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.752 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.792 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.959 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.4 t -88.53 -24.75 22.84 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.966 -0.693 . . . . 0.0 111.808 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--N 1.317 -0.816 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 175.184 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 CA-C-O 121.661 0.743 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 9.6 t-105 -76.69 -29.83 56.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.224 1.011 . . . . 0.0 111.048 -171.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.54 -22.28 64.51 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 124.05 1.881 . . . . 0.0 112.72 -173.773 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 9.1 tt0 -94.0 -28.11 15.95 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.864 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 45.2 t80 -86.73 -11.0 52.4 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.5 p -95.93 -148.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.41 -0.806 . . . . 0.0 109.357 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' VAL . 5.7 t70 . . . . . 0 C--O 1.27 2.142 0 CA-C-O 122.106 0.955 . . . . 0.0 110.967 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.44 ' H1 ' ' HA ' ' A' ' 23' ' ' CYS . 6.0 t80 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.226 0.536 . . . . 0.0 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 49.86 59.25 4.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.283 1.039 . . . . 0.0 112.019 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -59.57 -32.55 70.47 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.649 0.738 . . . . 0.0 111.657 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 28.62 66.48 Favored Glycine 0 C--O 1.24 0.482 0 O-C-N 121.706 -0.621 . . . . 0.0 112.021 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -105.73 0.17 Allowed 'General case' 0 C--O 1.25 1.128 0 O-C-N 121.81 -0.818 . . . . 0.0 110.499 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 O-C-N 121.048 -1.033 . . . . 0.0 111.313 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 121.726 0.774 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -82.67 171.18 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 123.028 1.394 . . . . 0.0 110.937 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.54 -156.68 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.929 1.347 . . . . 0.0 110.185 -172.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.834 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -98.0 95.86 1.7 Allowed Glycine 0 C--N 1.319 -0.393 0 CA-C-O 122.778 1.21 . . . . 0.0 110.603 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -145.93 103.14 3.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.37 0.605 . . . . 0.0 110.274 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.144 0.497 . . . . 0.0 111.798 -175.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.6 t . . . . . 0 CA--C 1.506 -0.731 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.487 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 23.3 mmt . . . . . 0 C--O 1.243 0.737 0 O-C-N 121.695 -0.628 . . . . 0.0 111.139 -173.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 16.2 ttmt . . . . . 0 C--O 1.242 0.659 0 CA-C-O 121.272 0.558 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -178.1 138.56 0.2 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 124.394 2.045 . . . . 0.0 115.916 -167.406 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -94.55 164.11 13.12 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 110.114 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.986 ' CE1' HG23 ' A' ' 38' ' ' THR . 62.2 t80 . . . . . 0 C--N 1.319 -0.739 0 O-C-N 121.455 -0.778 . . . . 0.0 110.778 171.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 122.849 1.309 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.108 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.834 HG13 ' CA ' ' A' ' 12' ' ' GLY . 43.0 t . . . . . 0 C--O 1.234 0.262 0 CA-C-O 124.153 1.93 . . . . 0.0 108.78 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 125.183 2.42 . . . . 0.0 108.879 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.8 t-20 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.0 t . . . . . 0 C--O 1.254 1.294 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -170.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 mmt180 . . . . . 0 C--O 1.244 0.796 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.986 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -87.28 -23.9 24.52 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.839 -0.744 . . . . 0.0 111.36 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--O 1.246 0.893 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 175.665 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.449 0.642 . . . . 0.0 110.442 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t-105 -76.15 -19.53 58.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.391 0.615 . . . . 0.0 112.097 -172.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -75.19 -21.67 58.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.483 1.611 . . . . 0.0 113.158 -174.25 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -101.44 17.16 23.42 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.307 -1.77 . . . . 0.0 112.122 174.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 33.7 t80 -138.15 -8.71 1.54 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.94 -149.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 120.977 -1.077 . . . . 0.0 109.989 -171.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.4 m-20 . . . . . 0 C--O 1.271 2.203 0 CA-C-O 121.928 0.87 . . . . 0.0 110.986 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.826 0.822 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.88 60.75 1.26 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.409 1.1 . . . . 0.0 110.653 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -81.69 8.13 10.71 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.34 57.74 7.9 Favored Glycine 0 C--N 1.318 -0.431 0 O-C-N 121.407 -0.808 . . . . 0.0 112.247 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 3.0 mmpt? -113.05 -86.3 0.57 Allowed 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.005 -0.703 . . . . 0.0 110.999 174.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 C--O 1.246 0.881 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -102.65 173.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.21 1.005 . . . . 0.0 110.589 -175.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -72.91 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.765 0.793 . . . . 0.0 110.108 -174.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -127.96 103.23 0.62 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -147.57 110.39 4.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.454 1.121 . . . . 0.0 110.725 -174.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -174.331 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.593 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 7.8 t . . . . . 0 C--O 1.245 0.831 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.593 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 16.7 mmt . . . . . 0 C--O 1.246 0.899 0 O-C-N 121.99 -0.444 . . . . 0.0 111.852 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 174.41 144.13 0.05 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 124.575 2.131 . . . . 0.0 114.874 -165.604 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -92.94 154.69 18.03 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.227 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.982 ' CE1' HG23 ' A' ' 38' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.318 -0.77 0 O-C-N 121.459 -0.775 . . . . 0.0 111.655 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 122.228 1.013 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.142 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -174.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.565 HG22 ' HA2' ' A' ' 12' ' ' GLY . 20.4 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 124.037 1.875 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 125.227 2.442 . . . . 0.0 108.908 172.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.098 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.716 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.256 1.425 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -171.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 24.9 mmt180 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.982 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -86.47 -27.47 24.06 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.743 -172.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.262 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.442 0 CA-C-O 121.663 0.744 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.675 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 6.9 t-105 -77.41 -25.46 50.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.813 1.768 . . . . 0.0 109.965 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -77.23 6.91 5.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.843 1.424 . . . . 0.0 114.843 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.56 22.97 4.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 122.254 1.026 . . . . 0.0 110.403 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.675 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 17.4 t80 -141.53 -2.66 1.21 Allowed 'General case' 0 C--O 1.247 0.925 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.2 p -106.33 -147.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 120.804 -1.185 . . . . 0.0 109.737 -171.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.042 0.925 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.478 ' CD2' ' HD2' ' A' ' 22' ' ' LYS . 6.0 p90 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.655 1.217 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t30 52.76 43.04 31.86 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' A' ' 1' ' ' TYR . 17.2 m -89.21 -38.53 14.19 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.037 -1.039 . . . . 0.0 111.15 170.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -72.55 0.02 OUTLIER Glycine 0 CA--C 1.498 -1.009 1 N-CA-C 127.066 5.586 . . . . 0.0 127.066 -172.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -68.23 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.249 1.051 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -165.446 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.995 -1.691 . . . . 0.0 113.631 -169.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.246 0.909 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.61 174.02 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 122.298 1.047 . . . . 0.0 110.727 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 10' ' ' VAL . 5.8 pt20 -72.84 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.728 0.775 . . . . 0.0 109.975 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.625 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -125.91 100.72 0.59 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-O 122.276 0.931 . . . . 0.0 110.83 -175.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.52 103.6 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.319 1.057 . . . . 0.0 111.034 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' CE2' ' A' ' 41' ' ' PHE . 1.8 mt . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 174.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.551 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t . . . . . 0 C--O 1.253 1.285 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 123.26 1.505 . . . . 0.0 108.467 -176.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD2' ' CD2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.772 0.796 . . . . 0.0 110.709 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -176.11 139.87 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 124.349 2.023 . . . . 0.0 115.579 -166.282 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -93.56 159.48 15.21 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.797 170.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE1' HG23 ' A' ' 38' ' ' THR . 30.7 t80 . . . . . 0 C--N 1.318 -0.797 0 CA-C-O 122.323 1.059 . . . . 0.0 111.242 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.032 0.444 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.625 HG13 ' CA ' ' A' ' 12' ' ' GLY . 88.3 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 124.733 2.206 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 125.131 2.396 . . . . 0.0 107.548 -172.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.639 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t . . . . . 0 C--O 1.256 1.42 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.153 0.501 . . . . 0.0 111.402 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.913 HG23 ' CE1' ' A' ' 25' ' ' PHE . 2.9 t -84.88 -27.18 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.169 -170.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 174.586 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.468 ' CE2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 121.702 0.763 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.859 ' CE2' HG21 ' A' ' 46' ' ' VAL . 20.4 t-105 -77.06 -18.75 57.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.312 1.053 . . . . 0.0 110.978 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 13.85 6.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.887 0.851 . . . . 0.0 113.294 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.11 26.05 5.49 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 123.269 1.509 . . . . 0.0 110.116 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 64.4 t80 -144.96 -59.96 0.36 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.854 1.788 . . . . 0.0 108.915 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 42' ' ' TRP . 6.4 t -86.51 -135.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 124.489 1.116 . . . . 0.0 108.774 169.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' H ' HG12 ' A' ' 46' ' ' VAL . 7.1 t0 . . . . . 0 C--O 1.27 2.133 0 CA-C-O 122.132 0.968 . . . . 0.0 110.941 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.9 t80 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.685 0.755 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.05 88.34 5.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.318 1.056 . . . . 0.0 111.38 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -86.56 -6.3 58.92 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.29 41.13 8.27 Favored Glycine 0 C--O 1.239 0.416 0 O-C-N 121.304 -0.872 . . . . 0.0 112.134 -173.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.462 ' C ' HD23 ' A' ' 6' ' ' LEU . 8.7 mttt -113.54 -93.25 0.48 Allowed 'General case' 0 C--O 1.243 0.722 0 O-C-N 121.867 -0.784 . . . . 0.0 111.18 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.859 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.243 0.75 0 CA-C-O 121.243 0.544 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.6 t -81.31 177.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.113 0.958 . . . . 0.0 110.576 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 3.8 mm100 -72.22 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.585 0.707 . . . . 0.0 109.884 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG12 ' A' ' 31' ' ' VAL . . . -107.23 97.53 1.19 Allowed Glycine 0 C--N 1.318 -0.42 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -136.21 88.22 2.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.253 1.025 . . . . 0.0 111.283 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.648 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 16.7 t . . . . . 0 CA--C 1.506 -0.729 0 CA-C-O 122.056 0.932 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' ' N ' ' A' ' 19' ' ' MET . 1.8 tpp . . . . . 0 C--N 1.318 -0.777 0 O-C-N 121.563 -0.71 . . . . 0.0 111.898 -170.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.773 0.797 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 175.23 142.15 0.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 125.145 2.402 . . . . 0.0 114.999 -165.429 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.462 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 5.6 p -93.52 161.97 14.15 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.548 -1.345 . . . . 0.0 110.754 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 38' ' ' THR . 57.8 t80 . . . . . 0 C--N 1.319 -0.74 0 O-C-N 121.512 -0.743 . . . . 0.0 111.575 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 121.31 0.576 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.098 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' HA2' ' A' ' 12' ' ' GLY . 2.9 t . . . . . 0 C--O 1.237 0.395 0 CA-C-O 125.018 2.342 . . . . 0.0 110.129 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 125.211 2.434 . . . . 0.0 109.037 -170.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.1 t-20 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.732 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.255 1.364 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -170.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 55.2 mmt-85 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 120.924 0.392 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.818 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.62 -26.1 22.09 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.161 -0.616 . . . . 0.0 112.462 -171.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.316 -0.875 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 173.698 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.241 0.656 0 CA-C-O 121.46 0.648 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 13.6 t-105 -74.74 -9.24 58.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.67 0.748 . . . . 0.0 112.618 -172.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -14.15 44.58 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 123.409 1.576 . . . . 0.0 113.338 -173.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.42 -33.77 10.91 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.601 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 28.2 t80 -82.33 -25.39 33.94 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.44 -146.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.631 -0.668 . . . . 0.0 109.264 -173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.037 0.922 . . . . 0.0 110.962 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.421 0.629 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -100.85 70.99 1.42 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.307 1.051 . . . . 0.0 110.933 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -86.26 -28.56 23.71 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.146 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.95 29.88 7.81 Favored Glycine 0 C--O 1.24 0.518 0 O-C-N 121.54 -0.725 . . . . 0.0 112.92 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.19 -129.34 0.0 OUTLIER 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.815 0 O-C-N 121.217 -0.927 . . . . 0.0 111.039 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 122.845 1.307 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -86.08 -7.56 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.607 1.194 . . . . 0.0 114.177 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -36.49 96.88 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 123.014 1.388 . . . . 0.0 112.445 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . 156.92 6.92 0.07 OUTLIER Glycine 0 C--O 1.248 1.022 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 171.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -115.87 90.13 3.27 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 120.712 -1.463 . . . . 0.0 109.508 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.718 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -172.104 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.9 t . . . . . 0 C--O 1.256 1.445 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.668 ' HE1' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 mmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 122.818 1.294 . . . . 0.0 110.346 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 164.41 142.54 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 123.952 1.834 . . . . 0.0 114.198 -167.648 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 p -92.85 155.42 17.63 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.624 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.872 ' CE1' HG23 ' A' ' 38' ' ' THR . 68.3 t80 . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 121.949 0.881 . . . . 0.0 110.474 172.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.352 0.596 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HG3' ' HB ' ' A' ' 35' ' ' THR . 25.8 ttt180 . . . . . 0 C--O 1.254 1.317 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 4.4 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 124.785 2.231 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 125.418 2.532 . . . . 0.0 107.648 -172.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.887 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.748 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t . . . . . 0 C--O 1.255 1.36 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.635 0 CA-C-O 121.284 0.564 . . . . 0.0 111.358 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.872 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -85.86 -27.66 24.92 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 118.83 -0.605 . . . . 0.0 112.434 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 95.9 m . . . . . 0 C--N 1.316 -0.874 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.839 0 CA-C-O 121.047 0.451 . . . . 0.0 110.625 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.554 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 16.5 t-105 -75.61 -28.07 58.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.187 0.994 . . . . 0.0 110.613 -171.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -81.5 12.48 3.7 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.2 27.11 4.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.412 1.101 . . . . 0.0 109.807 169.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 29.6 t80 -156.76 13.22 0.27 Allowed 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.872 0.844 . . . . 0.0 112.835 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.48 -149.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.837 0 O-C-N 120.304 -1.497 . . . . 0.0 109.717 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.27 2.181 0 CA-C-O 121.998 0.904 . . . . 0.0 111.032 -173.694 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 10.3 p90 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 121.762 0.792 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.03 67.27 0.97 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.241 1.019 . . . . 0.0 111.13 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -63.17 -29.21 70.61 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.291 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.97 62.32 0.97 Allowed Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.023 0.79 . . . . 0.0 111.171 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -134.9 -90.39 0.33 Allowed 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.956 -0.732 . . . . 0.0 111.137 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -125.33 42.42 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.279 1.037 . . . . 0.0 111.537 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -75.17 0.12 17.41 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.33 177.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 122.294 1.045 . . . . 0.0 110.519 176.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.428 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 mm-40 -71.95 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.599 0.714 . . . . 0.0 109.797 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.705 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -120.78 103.41 0.91 Allowed Glycine 0 C--N 1.318 -0.466 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -174.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 9.5 m120 -138.29 104.53 5.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.427 1.108 . . . . 0.0 110.781 174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 2.8 mt -71.06 -13.12 61.87 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 13' ' ' ASN . 32.7 ttp-105 -44.44 -29.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.199 -0.938 . . . . 0.0 111.278 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 5.8 t -82.78 -36.92 25.24 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -170.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.528 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -80.95 -69.01 0.64 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.964 0.888 . . . . 0.0 109.642 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -128.08 176.35 7.7 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 121.14 -0.975 . . . . 0.0 111.05 -176.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 175.77 145.27 0.07 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 125.191 2.424 . . . . 0.0 115.368 -165.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -92.59 161.32 14.64 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.596 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE1' HG23 ' A' ' 38' ' ' THR . 42.3 t80 -59.54 -39.91 85.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.979 0.895 . . . . 0.0 110.35 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.47 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 122.028 0.918 . . . . 0.0 110.836 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.34 15.64 0.05 Allowed 'General case' 0 C--O 1.252 1.207 0 N-CA-C 115.473 1.656 . . . . 0.0 115.473 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CGU . . . . . 0.541 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.705 HG13 ' HA3' ' A' ' 12' ' ' GLY . 55.2 t -73.84 -63.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 124.658 2.171 . . . . 0.0 108.879 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -49.82 -60.35 2.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 124.633 2.158 . . . . 0.0 109.27 174.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -84.16 82.88 8.17 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.137 1.335 . . . . 0.0 109.467 173.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.747 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -54.18 -24.68 19.06 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -170.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 25.7 mmt180 -50.03 -29.93 9.71 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.544 174.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.953 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -89.51 -24.22 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.572 -170.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.6 m -75.33 -37.06 60.94 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.8 -31.29 16.56 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.142 169.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 7.0 t-105 -76.2 -27.54 56.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.705 1.24 . . . . 0.0 110.558 -172.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -83.07 13.36 4.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.2 14.91 4.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.049 0.928 . . . . 0.0 110.579 169.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 3.2 t80 -137.93 -9.28 1.57 Allowed 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.78 -142.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 O-C-N 120.652 -1.28 . . . . 0.0 110.132 -170.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' N ' HG13 ' A' ' 46' ' ' VAL . 4.9 t70 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.058 0.932 . . . . 0.0 110.883 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 16.9 t80 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 122.116 0.96 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.6 t-20 -91.29 83.12 5.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.417 1.103 . . . . 0.0 110.975 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -84.66 3.88 35.05 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.909 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.47 33.96 8.97 Favored Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.444 -0.785 . . . . 0.0 111.736 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -89.57 -87.73 0.17 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.925 -0.75 . . . . 0.0 110.931 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 mt -138.49 39.15 2.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.483 1.135 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.538 ' HG ' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.538 ' N ' ' HG ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -83.91 -13.64 53.01 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.58 173.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 122.353 1.073 . . . . 0.0 110.686 -174.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.6 mt-30 -77.79 16.92 0.61 Allowed 'General case' 0 C--O 1.248 0.998 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.915 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 86.56 123.01 1.5 Allowed Glycine 0 N--CA 1.464 0.515 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -157.49 95.62 1.47 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.893 0.854 . . . . 0.0 111.265 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.25 -19.9 66.18 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.533 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -52.58 -31.74 37.7 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 0.0 111.321 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 8.6 t -74.55 -34.58 62.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.582 -0.699 . . . . 0.0 112.405 -173.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 31.3 mmt -90.3 -21.76 21.9 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.45 -0.781 . . . . 0.0 111.507 -173.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 6.3 ttmt -131.46 167.6 19.06 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.116 -0.99 . . . . 0.0 111.369 -173.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.531 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 176.92 137.95 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 124.387 2.042 . . . . 0.0 115.594 -169.029 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p -94.48 165.43 12.55 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 120.708 -1.245 . . . . 0.0 110.201 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.0 t80 -60.61 -30.7 70.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.851 0.834 . . . . 0.0 110.501 171.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.21 71.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.116 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 38' ' ' THR . 7.3 ttp180 -72.14 23.66 0.05 Allowed 'General case' 0 C--O 1.256 1.428 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.915 HG13 ' HA3' ' A' ' 12' ' ' GLY . 85.8 t -69.01 -27.12 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 124.663 2.173 . . . . 0.0 110.07 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.17 -55.91 2.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 125.085 2.374 . . . . 0.0 108.3 -170.33 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -84.16 83.12 8.07 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 120.558 -1.339 . . . . 0.0 109.108 173.306 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.745 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -54.24 -19.71 5.71 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -170.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 17.6 mmm180 -49.89 -30.15 9.54 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.436 173.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.904 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.0 t -91.6 -24.91 19.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.893 -169.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.2 m -73.62 -34.11 64.86 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.3 -30.61 28.99 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.29 170.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 5.8 t-105 -75.74 -29.68 58.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.755 1.264 . . . . 0.0 110.335 -173.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 7.13 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.42 1.105 . . . . 0.0 113.365 -174.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -116.86 -29.34 6.05 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.062 0.934 . . . . 0.0 111.324 170.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 28.6 t80 -92.19 -14.52 28.92 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 47' ' ' ASP . 4.4 p -87.09 -147.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.454 -0.779 . . . . 0.0 109.847 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 46' ' ' VAL . 33.5 t70 . . . . . 0 C--O 1.27 2.172 0 CA-C-O 121.868 0.842 . . . . 0.0 110.88 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.72 0.771 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.69 47.13 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.327 1.061 . . . . 0.0 111.144 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.69 -30.49 59.37 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.515 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 33.81 6.09 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 -89.65 0.3 Allowed 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.487 -1.008 . . . . 0.0 111.243 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.24 60.8 1.69 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.558 1.17 . . . . 0.0 111.054 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.477 ' CD1' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.477 ' N ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -11.02 35.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.648 0.737 . . . . 0.0 112.073 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -80.05 177.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.475 1.131 . . . . 0.0 110.282 174.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' H ' HG12 ' A' ' 10' ' ' VAL . 19.0 mt-30 -70.46 -165.34 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 123.331 1.539 . . . . 0.0 109.857 -172.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -106.53 95.32 1.02 Allowed Glycine 0 C--N 1.319 -0.404 0 CA-C-O 122.878 1.266 . . . . 0.0 110.062 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -146.82 111.56 5.3 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.495 1.141 . . . . 0.0 110.325 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 41' ' ' PHE . 5.2 mt -74.59 -8.35 56.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.513 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -38.35 2.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.412 1.101 . . . . 0.0 111.264 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t -86.55 -32.59 20.61 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.121 -0.987 . . . . 0.0 112.827 -169.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 8.4 mmt -92.3 -3.04 56.01 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.813 -0.554 . . . . 0.0 111.662 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 169.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.979 0.895 . . . . 0.0 113.09 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 172.12 142.88 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 124.533 2.111 . . . . 0.0 115.005 -166.011 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -92.79 155.81 17.42 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.524 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.1 t80 -49.5 -44.56 46.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.307 1.051 . . . . 0.0 110.506 172.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.16 82.17 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.993 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.6 29.83 0.24 Allowed 'General case' 0 C--O 1.247 0.968 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CGU . . . . . 0.451 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.521 HG13 ' HA3' ' A' ' 12' ' ' GLY . 24.5 t -65.73 -30.8 51.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 124.837 2.256 . . . . 0.0 109.615 171.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.8 OUTLIER -97.66 -55.72 2.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 124.848 2.261 . . . . 0.0 108.154 -171.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.518 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -84.63 76.04 10.23 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 120.702 -1.249 . . . . 0.0 108.769 171.392 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t -52.45 -17.85 1.4 Allowed 'General case' 0 C--O 1.255 1.35 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -170.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 9.1 mmt180 -49.26 -30.34 7.09 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.07 173.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.1 t -87.25 -24.96 24.21 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.745 -172.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.4 m -70.1 -41.76 73.62 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CGU . . . . . 0.543 ' C ' ' HG3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -68.44 -32.95 73.34 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 113.614 -1.63 . . . . 0.0 109.383 168.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.659 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.2 t-105 -78.24 -30.11 48.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.125 0.964 . . . . 0.0 111.314 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HG3' ' C ' ' A' ' 40' ' ' CGU . 0.0 OUTLIER -75.27 -7.71 54.65 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.792 1.758 . . . . 0.0 112.385 -171.096 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.72 -28.08 11.88 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.486 170.248 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.5 t80 -91.19 -4.09 56.41 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.6 p -120.03 -142.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 O-C-N 121.028 -1.045 . . . . 0.0 109.529 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 46' ' ' VAL . 39.4 t0 . . . . . 0 C--O 1.271 2.227 0 O-C-N 121.196 -0.94 . . . . 0.0 111.203 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.683 0.754 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -89.12 85.93 6.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.489 1.138 . . . . 0.0 112.445 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -86.81 -29.05 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.966 0.889 . . . . 0.0 110.5 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.56 29.17 24.99 Favored Glycine 0 C--O 1.243 0.66 0 O-C-N 121.807 -0.558 . . . . 0.0 113.378 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -115.72 -93.35 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.662 -0.905 . . . . 0.0 112.698 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -82.15 -21.33 36.63 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.177 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 1.1 m-30 -90.26 16.27 8.93 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.545 -0.722 . . . . 0.0 112.678 174.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -116.23 173.5 3.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.319 1.057 . . . . 0.0 110.828 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.8 mt-30 -72.95 -140.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.954 0.883 . . . . 0.0 110.209 -174.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -123.6 101.68 0.71 Allowed Glycine 0 C--N 1.319 -0.398 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.235 1.017 . . . . 0.0 111.243 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.33 -12.96 60.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -50.53 -20.55 1.19 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 121.183 -0.948 . . . . 0.0 112.28 -175.506 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t -81.02 -35.71 31.54 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.448 -0.782 . . . . 0.0 112.386 -170.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.488 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 32.1 mmt -82.0 -72.7 0.42 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.606 1.193 . . . . 0.0 109.328 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.53 171.78 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 112.162 -172.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 172.83 136.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 123.858 1.789 . . . . 0.0 115.044 -169.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 p -93.6 165.74 12.58 Favored 'General case' 0 C--O 1.243 0.732 0 O-C-N 121.1 -1.0 . . . . 0.0 110.084 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.862 ' CE1' HG23 ' A' ' 38' ' ' THR . 69.8 t80 -61.84 -29.11 69.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.019 171.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.15 68.91 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.531 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -80.08 54.02 1.84 Allowed 'General case' 0 C--O 1.254 1.337 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CGU . . . . . 0.491 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG22 ' HA2' ' A' ' 12' ' ' GLY . 11.4 t -67.72 -32.9 58.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 124.683 2.182 . . . . 0.0 109.441 170.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 125.714 2.673 . . . . 0.0 108.527 -171.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 22.3 t-20 -83.75 78.87 9.63 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.57 -1.331 . . . . 0.0 109.425 173.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.746 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -54.99 -15.35 1.97 Allowed 'General case' 0 C--O 1.255 1.359 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -51.76 -33.63 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.716 173.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.862 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -85.83 -26.64 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 m -71.69 -36.92 70.75 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -32.35 21.87 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.388 169.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t-105 -76.65 -21.26 55.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.114 0.959 . . . . 0.0 111.065 -172.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 11.52 4.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.79 32.04 2.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 122.652 1.215 . . . . 0.0 109.76 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 73.6 t80 -145.41 -44.78 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.879 -173.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -7.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -174.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OXT' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.185 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.324 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.47 ' HB2' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 121.358 0.599 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.49 ' HB2' ' CD1' ' A' ' 27' ' ' CGU . 2.4 t30 70.16 90.14 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.216 1.008 . . . . 0.0 112.237 170.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.13 -29.72 21.6 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.337 0.589 . . . . 0.0 111.245 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.12 42.91 2.7 Favored Glycine 0 C--O 1.243 0.708 0 O-C-N 121.543 -0.723 . . . . 0.0 113.705 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -79.69 0.34 Allowed 'General case' 0 C--O 1.244 0.766 0 O-C-N 121.766 -0.843 . . . . 0.0 111.064 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 28.75 0.93 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.579 -0.701 . . . . 0.0 112.034 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -94.25 32.71 1.48 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.07 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 7' ' ' CGU . 2.5 t -109.76 174.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.247 1.022 . . . . 0.0 110.49 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -77.2 19.7 0.31 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -173.001 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.746 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 68.94 109.28 0.02 OUTLIER Glycine 0 C--N 1.317 -0.493 0 CA-C-O 122.489 1.05 . . . . 0.0 111.177 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.2 104.59 3.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.422 1.106 . . . . 0.0 110.496 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' CYS . 38.5 mt -60.39 -47.98 83.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 -173.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -57.08 -34.27 68.12 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.285 -0.884 . . . . 0.0 111.222 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t -170.6 -38.88 0.02 OUTLIER 'General case' 0 C--O 1.246 0.896 0 O-C-N 121.865 -0.522 . . . . 0.0 111.771 173.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HE2' ' C ' ' A' ' 18' ' ' CYS . 33.4 mmt -88.06 -68.57 0.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.872 1.32 . . . . 0.0 109.228 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -102.84 171.46 7.39 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.461 -1.399 . . . . 0.0 111.35 -170.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 173.53 142.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 124.462 2.077 . . . . 0.0 114.216 -166.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.485 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 19.7 p -91.84 164.47 13.67 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.33 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 38' ' ' THR . 40.4 t80 -66.88 -32.01 73.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.786 0.803 . . . . 0.0 110.225 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -91.13 -8.95 47.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.902 177.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 4.6 27.52 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' HA2' ' A' ' 12' ' ' GLY . 17.8 t -61.3 -27.88 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 124.859 2.266 . . . . 0.0 109.2 170.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -100.36 -51.42 3.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 126.474 3.035 . . . . 0.0 108.7 -170.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -84.73 73.68 10.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 120.49 -1.381 . . . . 0.0 109.209 170.528 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -53.43 -17.26 1.82 Allowed 'General case' 0 C--O 1.254 1.305 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -170.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mmt180 -50.33 -28.91 8.76 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.419 173.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.02 -26.17 22.73 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.096 -172.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -74.18 -39.46 63.17 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -51.24 -32.29 23.66 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 113.826 -1.533 . . . . 0.0 109.855 168.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 15.9 t-105 -76.21 -22.68 54.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.602 1.667 . . . . 0.0 110.352 -174.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.4 13.23 0.99 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 173.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -131.69 4.5 4.24 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.411 0.684 . . . . 0.0 112.141 171.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 40.3 t80 -119.08 -34.9 3.75 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.383 -0.823 . . . . 0.0 112.331 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -77.39 1.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.475 1.131 . . . . 0.0 113.613 -175.137 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.272 2.259 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.794 0.807 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -85.0 88.91 7.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.459 1.123 . . . . 0.0 111.739 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -86.97 -28.12 22.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.609 0.718 . . . . 0.0 111.223 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.58 36.7 42.66 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 121.795 0.664 . . . . 0.0 111.607 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.32 -88.08 0.29 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.004 -0.704 . . . . 0.0 111.077 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.27 36.87 2.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.25 1.024 . . . . 0.0 110.848 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 11' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -80.37 -35.08 35.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.32 1.057 . . . . 0.0 110.691 174.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.82 -7.23 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 123.545 1.641 . . . . 0.0 113.96 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 8' ' ' CGU . 1.1 pp0? -37.86 135.4 0.65 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 123.768 1.747 . . . . 0.0 111.485 175.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.656 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 125.95 17.23 2.55 Favored Glycine 0 C--O 1.238 0.398 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.943 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -129.65 101.31 5.86 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.308 1.051 . . . . 0.0 110.86 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -33.08 70.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 111.683 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.593 ' HA ' ' CB ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -45.0 19.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.934 0.873 . . . . 0.0 112.546 -174.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.445 ' N ' ' CD1' ' A' ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t -85.75 -22.43 27.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -171.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.593 ' CB ' ' HA ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -103.48 -27.67 12.25 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.783 0.801 . . . . 0.0 112.088 -170.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.8 170.95 11.08 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.285 1.04 . . . . 0.0 112.619 -173.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 174.49 134.75 0.04 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 123.481 1.61 . . . . 0.0 114.197 -170.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -93.05 164.57 13.22 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.358 170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.842 ' CE2' HG23 ' A' ' 38' ' ' THR . 40.6 t80 -72.47 127.16 31.72 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 170.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CGU . . . . . 0.514 ' HG ' ' HN2' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.514 ' HN2' ' HG ' ' A' ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . -50.69 -43.37 57.63 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.26 170.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 26' ' ' CGU . 1.9 ttt180 -72.44 27.57 0.05 Allowed 'General case' 0 C--O 1.258 1.55 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG22 ' HA2' ' A' ' 12' ' ' GLY . 14.6 t -66.26 -29.71 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 124.776 2.226 . . . . 0.0 109.662 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -104.78 -54.69 2.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.234 2.445 . . . . 0.0 108.734 -170.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.6 t-20 -83.95 85.72 7.28 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 120.802 -1.186 . . . . 0.0 109.579 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.75 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -54.6 -26.11 30.61 Favored 'General case' 0 C--O 1.251 1.141 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -170.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.543 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 8.0 mmm180 -55.0 -31.46 61.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.842 173.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.842 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -89.76 -20.77 23.15 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.436 -169.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 5.3 m -74.7 -27.5 60.42 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.156 0.503 . . . . 0.0 112.068 173.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.473 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.4 OUTLIER -50.8 -33.28 22.83 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.44 168.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 19.8 t-105 -77.35 -22.43 51.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.536 1.636 . . . . 0.0 110.638 -173.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.62 8.29 3.05 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -133.04 32.6 3.74 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 123.469 1.604 . . . . 0.0 108.506 170.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 86.9 t80 -179.67 71.71 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.398 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.2 p -148.54 -150.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 121.523 -0.736 . . . . 0.0 109.874 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 46' ' ' VAL . 7.8 t0 . . . . . 0 C--O 1.269 2.124 0 CA-C-O 122.038 0.923 . . . . 0.0 111.396 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.345 1.069 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -103.85 76.33 1.36 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.708 1.242 . . . . 0.0 110.315 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.43 -34.19 60.97 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.391 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 95.38 70.41 1.07 Allowed Glycine 0 CA--C 1.508 -0.346 0 CA-C-O 122.15 0.861 . . . . 0.0 112.283 -176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -130.28 -89.6 0.48 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.818 -0.813 . . . . 0.0 111.084 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -118.77 -7.16 10.54 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.601 -0.687 . . . . 0.0 112.827 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.493 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -104.36 -28.3 11.45 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.041 1.401 . . . . 0.0 110.42 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -94.09 -2.66 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HG3' ' C ' ' A' ' 8' ' ' CGU . 0.0 OUTLIER -70.09 15.81 0.08 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.479 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . -99.11 65.86 0.67 Allowed Glycine 0 C--N 1.318 -0.465 0 CA-C-O 122.831 1.239 . . . . 0.0 111.717 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -161.8 116.19 1.93 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.809 -0.696 . . . . 0.0 110.445 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.97 -52.94 9.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.59 0.71 . . . . 0.0 112.641 -173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttm105 -73.08 -42.05 63.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.115 0.96 . . . . 0.0 111.617 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 11' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.7 t -139.34 -34.59 0.57 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 0.3 OUTLIER -87.46 -34.62 18.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 120.235 -1.54 . . . . 0.0 110.336 -176.781 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -38.88 154.64 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 124.174 1.94 . . . . 0.0 114.839 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -171.67 142.46 1.58 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.843 1.782 . . . . 0.0 113.45 -166.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 p -92.22 160.3 15.23 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.114 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.7 t80 -62.01 -29.0 69.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.974 0.892 . . . . 0.0 110.086 171.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -44.79 67.53 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.669 -0.644 . . . . 0.0 111.123 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -76.06 20.41 0.2 Allowed 'General case' 0 C--O 1.248 0.99 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 3.1 t -79.88 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 124.833 2.254 . . . . 0.0 108.704 172.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -48.35 -55.2 11.34 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 125.036 2.35 . . . . 0.0 108.609 172.144 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 12.3 t-20 -83.9 86.26 7.2 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 120.577 -1.327 . . . . 0.0 109.282 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' THR . 2.9 t -56.03 -22.2 25.97 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -52.97 -30.73 36.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.314 173.279 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.2 t -85.85 -28.65 24.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.169 -172.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 m -67.08 -43.57 82.26 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -51.59 -32.07 27.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.288 168.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.5 t-105 -76.74 -25.27 53.3 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.891 1.805 . . . . 0.0 110.009 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -80.89 11.79 3.72 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.008 -1.057 . . . . 0.0 113.501 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.3 27.29 3.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.276 1.036 . . . . 0.0 110.193 171.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 32.2 t80 -155.43 14.54 0.37 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.204 1.002 . . . . 0.0 112.417 -173.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.6 p -121.3 -150.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.778 0 O-C-N 120.6 -1.312 . . . . 0.0 109.612 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 46' ' ' VAL . 23.1 m-20 . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.057 0.932 . . . . 0.0 111.085 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.7 0.762 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -128.76 67.04 1.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.488 1.137 . . . . 0.0 110.641 -173.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -59.25 -25.97 64.51 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.363 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.0 40.93 93.44 Favored Glycine 0 C--N 1.319 -0.395 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.638 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.37 -82.5 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.029 -0.689 . . . . 0.0 111.065 175.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 5' ' ' LYS . 1.2 pt? -145.89 19.72 1.45 Allowed 'General case' 0 C--O 1.243 0.758 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -91.02 18.39 6.79 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 7' ' ' CGU . 2.4 t -111.7 168.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 123.383 1.563 . . . . 0.0 111.444 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 12' ' ' GLY . 56.3 mt-30 -77.11 93.95 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 124.191 0.996 . . . . 0.0 113.035 -172.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -1.53 98.19 0.01 OUTLIER Glycine 0 C--N 1.316 -0.54 0 C-N-CA 125.476 1.512 . . . . 0.0 113.175 169.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -153.19 117.16 4.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.272 1.034 . . . . 0.0 109.95 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -82.27 3.13 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.706 -173.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -47.08 -27.7 1.46 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t -100.35 -25.59 14.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 120.821 -1.174 . . . . 0.0 112.62 -170.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 4.3 mmt -97.28 1.95 50.19 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.779 -0.576 . . . . 0.0 112.477 174.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CGU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER 47.54 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.631 1.172 . . . . 0.0 112.733 -177.166 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 171.48 145.79 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 124.868 2.27 . . . . 0.0 114.347 -166.109 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -92.67 156.16 17.25 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 114.117 -1.402 . . . . 0.0 110.172 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.3 t80 -51.92 -38.19 55.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.029 0.919 . . . . 0.0 110.685 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.456 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.97 66.93 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.831 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -71.93 25.66 0.05 OUTLIER 'General case' 0 C--O 1.257 1.45 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG22 ' HA2' ' A' ' 12' ' ' GLY . 49.9 t -67.86 -28.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 124.752 2.215 . . . . 0.0 109.931 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -101.32 -56.84 2.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 125.25 2.452 . . . . 0.0 108.064 -171.11 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -84.53 78.23 9.87 Favored 'General case' 0 C--O 1.247 0.926 0 O-C-N 120.595 -1.315 . . . . 0.0 109.044 172.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.757 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t -53.9 -15.61 1.43 Allowed 'General case' 0 C--O 1.255 1.35 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 15.1 mmt85 -50.73 -31.43 16.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.975 172.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.3 t -88.4 -25.14 22.84 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.381 -171.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m -69.33 -43.34 73.9 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -51.64 -33.71 34.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.903 -1.499 . . . . 0.0 110.134 170.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.793 ' O ' HG12 ' A' ' 46' ' ' VAL . 5.2 t-105 -76.77 -26.58 54.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.349 1.071 . . . . 0.0 111.131 -173.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -16.73 63.28 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.503 1.62 . . . . 0.0 113.397 -174.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -114.12 34.93 4.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.38 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.67 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.2 t80 -148.99 -70.28 0.21 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.097 0.951 . . . . 0.0 110.71 -174.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER 13.67 123.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 C-N-CA 129.068 2.947 . . . . 0.0 117.038 171.674 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.27 2.17 0 O-C-N 120.446 -1.409 . . . . 0.0 110.964 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 43.5 p90 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 121.638 0.733 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.0 t-20 -173.24 77.69 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.968 0.89 . . . . 0.0 111.677 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -87.38 -31.39 20.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 0.0 110.917 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.03 29.65 40.97 Favored Glycine 0 C--O 1.241 0.551 0 CA-C-O 121.667 0.593 . . . . 0.0 113.013 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -96.07 -88.42 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.665 -0.903 . . . . 0.0 110.921 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.57 46.12 1.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.776 1.274 . . . . 0.0 110.935 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.59 ' C ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -86.5 11.76 11.89 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG23 ' C ' ' A' ' 7' ' ' CGU . 2.6 t -81.26 -177.37 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-O 122.072 0.939 . . . . 0.0 110.234 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.8 mt-30 -76.23 14.2 0.78 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -173.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 59.68 97.78 0.01 OUTLIER Glycine 0 C--N 1.317 -0.498 0 CA-C-O 122.534 1.074 . . . . 0.0 110.752 -174.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -150.8 95.24 2.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.026 0.917 . . . . 0.0 110.704 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -58.29 -42.94 87.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.74 0.781 . . . . 0.0 110.805 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.58 ' C ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -72.61 0.4 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.742 0.782 . . . . 0.0 113.008 175.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.581 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.6 t -69.54 -27.65 65.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.926 1.346 . . . . 0.0 112.359 -173.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.58 ' HB2' ' C ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -85.55 -68.18 0.75 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 123.468 1.604 . . . . 0.0 110.883 -172.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.93 176.94 5.41 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.664 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 171.52 135.54 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 124.133 1.92 . . . . 0.0 115.057 -170.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.9 p -94.28 153.61 17.94 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.601 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.997 ' CE1' HG23 ' A' ' 38' ' ' THR . 70.1 t80 -51.27 163.61 0.23 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 123.968 1.842 . . . . 0.0 107.145 168.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CGU . . . . . 0.489 ' HG ' ' C ' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . -72.67 -49.02 34.33 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.792 -1.549 . . . . 0.0 112.085 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.549 ' HD3' ' HB ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -76.0 19.0 0.24 Allowed 'General case' 0 C--O 1.248 1.024 0 O-C-N 121.008 -1.058 . . . . 0.0 113.4 -172.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 12' ' ' GLY . 8.8 t -79.06 -71.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 124.244 1.973 . . . . 0.0 108.347 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 37' ' ' ARG . 6.5 t80 -42.91 -45.63 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 126.403 3.001 . . . . 0.0 108.967 170.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -84.81 95.51 9.0 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 120.274 -1.516 . . . . 0.0 110.538 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.759 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.5 t -64.08 -31.09 72.15 Favored 'General case' 0 C--O 1.25 1.121 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 10.2 mmt85 -57.0 -37.4 71.62 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.539 0.685 . . . . 0.0 110.824 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.997 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.3 t -87.96 -17.17 31.87 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -166.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -71.17 -30.48 66.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.624 0.726 . . . . 0.0 110.584 171.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.86 -32.58 20.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.176 169.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 11.4 t-105 -77.23 -23.79 51.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 123.102 1.43 . . . . 0.0 110.754 -171.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.23 14.95 2.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.171 0.986 . . . . 0.0 113.601 175.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -138.93 18.3 2.64 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.907 0.861 . . . . 0.0 110.632 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 11.9 t80 -138.26 -3.19 1.77 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.4 p -99.52 -140.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.922 -1.111 . . . . 0.0 109.611 -172.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.517 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.5 t0 . . . . . 0 C--O 1.271 2.205 0 CA-C-O 121.92 0.867 . . . . 0.0 111.055 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 22' ' ' LYS . 2.6 p90 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 123.167 1.461 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.468 ' HB2' ' CD1' ' A' ' 27' ' ' CGU . 2.8 t30 50.88 51.22 17.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.276 1.036 . . . . 0.0 111.891 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -66.95 -32.71 74.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.748 0.785 . . . . 0.0 112.202 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 91.77 47.33 3.45 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -173.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 6' ' ' LEU . 5.7 ttpt -116.98 -91.56 0.54 Allowed 'General case' 0 C--O 1.244 0.787 0 O-C-N 122.0 -0.706 . . . . 0.0 111.007 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 4.8 mt -111.56 -16.95 13.16 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.408 -0.808 . . . . 0.0 112.795 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.48 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -93.01 30.3 1.64 Allowed 'General case' 0 C--O 1.243 0.711 0 O-C-N 121.565 -0.71 . . . . 0.0 112.194 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -129.15 172.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 122.308 1.052 . . . . 0.0 110.58 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 26.5 mt-30 -72.89 -139.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.304 1.05 . . . . 0.0 110.34 -174.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.84 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -111.08 97.86 0.99 Allowed Glycine 0 C--N 1.318 -0.432 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.29 99.14 4.59 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.252 1.025 . . . . 0.0 111.04 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.08 -19.15 61.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' HG2' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -80.69 -23.84 39.28 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.441 ' CD1' ' HG2' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t -83.7 -35.54 24.39 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.482 -0.761 . . . . 0.0 112.504 -172.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.526 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 29.6 mmt -88.8 -33.64 17.35 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.069 -1.019 . . . . 0.0 111.089 -171.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 1' ' ' TYR . 5.1 ttpt -100.31 173.58 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 121.245 -0.91 . . . . 0.0 111.141 -174.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 169.49 141.06 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 123.847 1.785 . . . . 0.0 113.75 -167.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 10.3 p -93.21 165.14 12.96 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.095 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.9 t80 -67.4 -26.42 66.43 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.797 0.808 . . . . 0.0 110.643 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.42 77.77 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.316 0.579 . . . . 0.0 110.555 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD2' ' HA ' ' A' ' 33' ' ' CGU . 0.0 OUTLIER -75.4 32.79 0.11 Allowed 'General case' 0 C--O 1.253 1.28 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 176.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.84 HG13 ' HA3' ' A' ' 12' ' ' GLY . 5.2 t -69.08 -34.96 66.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 124.463 2.077 . . . . 0.0 109.702 169.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -96.44 -50.5 4.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 125.78 2.705 . . . . 0.0 107.782 -170.74 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CGU . . . . . 0.48 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 8.7 t-20 -86.0 84.23 7.58 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.577 -1.327 . . . . 0.0 110.026 174.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.7 t -55.08 -12.82 0.97 Allowed 'General case' 0 C--O 1.256 1.427 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -48.73 -33.46 10.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.243 173.518 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -85.67 -28.75 24.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.286 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -70.18 -40.88 74.39 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -50.65 -31.26 15.69 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.52 169.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.7 t-105 -76.31 -25.86 55.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.993 0.901 . . . . 0.0 110.613 -172.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.34 12.42 2.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -118.31 -37.79 3.29 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.403 1.097 . . . . 0.0 110.464 171.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 23.1 t80 -80.18 -23.89 40.7 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 47' ' ' ASP . 7.1 p -80.32 -136.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.423 -0.798 . . . . 0.0 108.974 -173.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 46' ' ' VAL . 11.3 t70 . . . . . 0 C--O 1.27 2.159 0 CA-C-O 121.98 0.895 . . . . 0.0 110.974 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 36.9 p90 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.543 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 1.2 t30 -178.8 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.072 0.939 . . . . 0.0 111.085 -173.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -33.87 18.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.78 0.8 . . . . 0.0 111.122 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.69 23.0 8.54 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 121.727 -0.608 . . . . 0.0 112.759 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.6 -72.53 0.22 Allowed 'General case' 0 C--O 1.245 0.817 0 O-C-N 121.633 -0.922 . . . . 0.0 110.895 -178.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -162.01 33.66 0.12 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.409 1.099 . . . . 0.0 110.631 179.293 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 6' ' ' LEU . 24.2 m-85 -75.53 -4.82 42.04 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG11 ' NH2' ' A' ' 16' ' ' ARG . 2.5 t -88.67 172.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.491 1.138 . . . . 0.0 110.932 -173.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -78.0 14.33 1.16 Allowed 'General case' 0 C--O 1.246 0.899 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -173.15 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.587 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 74.24 115.7 0.08 OUTLIER Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -174.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -146.7 108.25 4.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.89 0.852 . . . . 0.0 110.685 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' CGU . 82.4 mt -59.57 -70.18 0.17 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.729 0.776 . . . . 0.0 111.847 -173.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.559 ' HA ' ' CB ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.491 ' NH2' HG11 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -50.12 -43.79 51.97 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.541 -0.724 . . . . 0.0 111.921 -178.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 6.2 t -58.66 -38.82 78.98 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 120.665 -1.272 . . . . 0.0 113.243 -172.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.559 ' CB ' ' HA ' ' A' ' 15' ' ' CGU . 1.6 tpp -102.75 14.36 32.14 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 120.92 -1.113 . . . . 0.0 112.905 -170.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CGU . . . . . 0.432 ' HG ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.86 178.02 4.56 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 178.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 178.07 143.48 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.77 2.7 . . . . 0.0 115.082 -166.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.0 p -92.79 154.25 18.39 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.914 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 5.4 t80 -52.37 -25.7 10.47 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.409 -0.807 . . . . 0.0 111.647 172.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.84 -53.26 59.92 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 122.778 1.275 . . . . 0.0 111.063 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -0.71 0.11 Allowed 'General case' 0 C--O 1.254 1.314 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.587 HG22 ' HA2' ' A' ' 12' ' ' GLY . 70.3 t -70.72 -62.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 124.289 1.995 . . . . 0.0 108.55 173.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -49.69 -49.53 47.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 125.296 2.474 . . . . 0.0 108.895 172.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -84.47 81.57 8.78 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 120.546 -1.347 . . . . 0.0 110.102 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.675 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -58.24 -9.91 1.73 Allowed 'General case' 0 C--O 1.255 1.379 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -172.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 12.0 mmm180 -49.14 -30.18 6.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.702 171.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 35' ' ' THR . 4.2 t -86.16 -30.85 22.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.215 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 m -67.88 -43.03 80.3 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER -50.72 -29.93 12.58 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.273 169.528 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.652 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 4.7 t-105 -76.57 -29.56 56.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.236 1.493 . . . . 0.0 110.226 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 14.09 4.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 122.228 1.013 . . . . 0.0 113.613 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -134.84 17.81 3.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.443 1.116 . . . . 0.0 109.879 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 2.1 t80 -139.51 -16.83 1.02 Allowed 'General case' 0 C--O 1.252 1.212 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.9 p -81.82 -139.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 O-C-N 120.691 -1.255 . . . . 0.0 109.399 -172.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' VAL . 15.2 t0 . . . . . 0 C--O 1.27 2.168 0 CA-C-O 122.037 0.922 . . . . 0.0 111.005 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' HB2' ' HE2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 121.953 0.883 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' HA ' ' CD2' ' A' ' 7' ' ' CGU . 6.8 t-20 -171.39 71.56 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.52 1.152 . . . . 0.0 110.732 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -55.2 -28.58 54.05 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.648 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 87.78 29.71 20.22 Favored Glycine 0 C--O 1.24 0.488 0 O-C-N 121.586 -0.696 . . . . 0.0 112.729 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -87.24 -85.8 0.16 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.708 -0.878 . . . . 0.0 111.27 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -136.72 37.62 2.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.269 1.033 . . . . 0.0 111.139 -176.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.417 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.84 2.89 24.52 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -174.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -97.22 173.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.586 1.184 . . . . 0.0 110.972 -173.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.9 pt20 -78.08 19.89 0.4 Allowed 'General case' 0 C--O 1.25 1.086 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.576 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 81.23 106.68 0.33 Allowed Glycine 0 C--N 1.318 -0.442 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -174.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -146.07 106.33 4.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.153 0.978 . . . . 0.0 110.582 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 5.3 mt -76.86 -16.97 59.26 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -44.6 -29.0 0.66 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.064 0.935 . . . . 0.0 111.937 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 6.4 t -78.0 -39.45 42.2 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 121.287 -0.883 . . . . 0.0 113.373 -170.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.559 ' HE3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -80.74 -69.95 0.56 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 122.311 1.053 . . . . 0.0 109.431 -173.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -114.93 173.17 6.62 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.03 -1.044 . . . . 0.0 111.17 -173.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 175.46 143.47 0.06 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.823 2.249 . . . . 0.0 115.85 -166.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 p -93.85 152.7 18.71 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.982 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.959 ' CE1' HG23 ' A' ' 38' ' ' THR . 54.5 t80 -49.47 -26.6 3.48 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.575 -0.703 . . . . 0.0 111.717 172.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CGU . . . . . 0.711 ' HG ' ' HN2' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.711 ' HN2' ' HG ' ' A' ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -54.55 -51.35 65.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.299 1.047 . . . . 0.0 110.928 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.37 7.53 0.1 Allowed 'General case' 0 C--O 1.252 1.215 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HA3' ' A' ' 12' ' ' GLY . 23.7 t -74.07 -68.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 124.092 1.901 . . . . 0.0 108.632 172.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -44.95 -52.27 8.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 125.351 2.5 . . . . 0.0 108.733 172.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.0 t-20 -83.65 82.54 8.27 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 120.556 -1.34 . . . . 0.0 109.572 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.752 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -55.81 -19.91 13.27 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -170.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -49.96 -31.02 11.52 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.991 173.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.959 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.4 t -88.53 -24.75 22.84 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.966 -0.693 . . . . 0.0 111.808 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -73.24 -40.24 64.83 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -33.59 24.43 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 113.984 -1.462 . . . . 0.0 110.408 168.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 9.6 t-105 -76.69 -29.83 56.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.224 1.011 . . . . 0.0 111.048 -171.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.54 -22.28 64.51 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 124.05 1.881 . . . . 0.0 112.72 -173.773 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 9.1 tt0 -94.0 -28.11 15.95 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.864 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 45.2 t80 -86.73 -11.0 52.4 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.5 p -95.93 -148.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.41 -0.806 . . . . 0.0 109.357 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' VAL . 5.7 t70 . . . . . 0 C--O 1.27 2.142 0 CA-C-O 122.106 0.955 . . . . 0.0 110.967 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.44 ' H1 ' ' HA ' ' A' ' 23' ' ' CYS . 6.0 t80 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.226 0.536 . . . . 0.0 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 49.86 59.25 4.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.283 1.039 . . . . 0.0 112.019 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -59.57 -32.55 70.47 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.649 0.738 . . . . 0.0 111.657 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 28.62 66.48 Favored Glycine 0 C--O 1.24 0.482 0 O-C-N 121.706 -0.621 . . . . 0.0 112.021 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -105.73 0.17 Allowed 'General case' 0 C--O 1.25 1.128 0 O-C-N 121.81 -0.818 . . . . 0.0 110.499 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 31.14 6.28 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.048 -1.033 . . . . 0.0 111.313 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.443 ' HG ' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.443 ' N ' ' HG ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -67.6 -24.89 65.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.726 0.774 . . . . 0.0 111.451 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -82.67 171.18 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 123.028 1.394 . . . . 0.0 110.937 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.54 -156.68 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.929 1.347 . . . . 0.0 110.185 -172.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.834 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -98.0 95.86 1.7 Allowed Glycine 0 C--N 1.319 -0.393 0 CA-C-O 122.778 1.21 . . . . 0.0 110.603 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -145.93 103.14 3.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.37 0.605 . . . . 0.0 110.274 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -81.95 7.21 13.65 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.144 0.497 . . . . 0.0 111.798 -175.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -65.54 -47.29 76.37 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.495 1.141 . . . . 0.0 111.359 174.325 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.6 t -95.28 -35.53 11.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 121.309 -0.87 . . . . 0.0 111.524 -170.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.509 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 23.3 mmt -90.86 -27.17 18.98 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 121.695 -0.628 . . . . 0.0 111.139 -173.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CGU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 16.2 ttmt -104.14 165.39 11.08 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.473 -0.767 . . . . 0.0 110.627 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -178.1 138.56 0.2 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 124.394 2.045 . . . . 0.0 115.916 -167.406 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -94.55 164.11 13.12 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 110.114 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.986 ' CE1' HG23 ' A' ' 38' ' ' THR . 62.2 t80 -59.47 -26.52 65.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.455 -0.778 . . . . 0.0 110.778 171.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -55.57 -50.2 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.849 1.309 . . . . 0.0 109.963 173.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.53 7.44 0.11 Allowed 'General case' 0 C--O 1.25 1.108 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -175.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CGU . . . . . 0.555 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.834 HG13 ' CA ' ' A' ' 12' ' ' GLY . 43.0 t -71.04 -65.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 124.153 1.93 . . . . 0.0 108.78 173.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -46.36 -56.41 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 125.183 2.42 . . . . 0.0 108.879 173.031 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.8 t-20 -83.51 83.44 7.89 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 120.69 -1.256 . . . . 0.0 109.739 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.0 t -56.67 -24.61 50.05 Favored 'General case' 0 C--O 1.254 1.294 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -170.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 mmt180 -49.11 -30.97 7.26 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.146 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.986 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -87.28 -23.9 24.52 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.839 -0.744 . . . . 0.0 111.36 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -73.57 -41.47 62.87 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -53.95 -31.4 50.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.442 169.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t-105 -76.15 -19.53 58.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.391 0.615 . . . . 0.0 112.097 -172.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -75.19 -21.67 58.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.483 1.611 . . . . 0.0 113.158 -174.25 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -101.44 17.16 23.42 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.307 -1.77 . . . . 0.0 112.122 174.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 33.7 t80 -138.15 -8.71 1.54 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.94 -149.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 120.977 -1.077 . . . . 0.0 109.989 -171.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.4 m-20 . . . . . 0 C--O 1.271 2.203 0 CA-C-O 121.928 0.87 . . . . 0.0 110.986 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.826 0.822 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.88 60.75 1.26 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.409 1.1 . . . . 0.0 110.653 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -81.69 8.13 10.71 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 48.34 57.74 7.9 Favored Glycine 0 C--N 1.318 -0.431 0 O-C-N 121.407 -0.808 . . . . 0.0 112.247 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 3.0 mmpt? -113.05 -86.3 0.57 Allowed 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.005 -0.703 . . . . 0.0 110.999 174.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.51 20.67 2.92 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.418 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -83.97 10.68 9.28 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -102.65 173.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.21 1.005 . . . . 0.0 110.589 -175.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -72.91 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.765 0.793 . . . . 0.0 110.108 -174.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -127.96 103.23 0.62 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -147.57 110.39 4.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.454 1.121 . . . . 0.0 110.725 -174.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.87 -3.52 48.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CG ' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -51.57 -33.74 33.86 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.64 0.733 . . . . 0.0 110.46 178.072 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.425 ' CD1' ' CG ' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.593 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 7.8 t -120.99 -31.13 4.24 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 120.08 1.309 . . . . 0.0 112.272 -173.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.593 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 16.7 mmt -85.87 -10.42 55.37 Favored 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.99 -0.444 . . . . 0.0 111.852 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.84 168.95 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 176.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 174.41 144.13 0.05 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 124.575 2.131 . . . . 0.0 114.874 -165.604 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -92.94 154.69 18.03 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.227 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.982 ' CE1' HG23 ' A' ' 38' ' ' THR . 36.8 t80 -49.96 -34.63 21.42 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.459 -0.775 . . . . 0.0 111.655 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CGU . . . . . 0.562 ' HG ' ' HN2' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.562 ' HN2' ' HG ' ' A' ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.29 73.42 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.455 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 6.95 0.2 Allowed 'General case' 0 C--O 1.251 1.142 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.565 HG22 ' HA2' ' A' ' 12' ' ' GLY . 20.4 t -76.94 -68.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 124.037 1.875 . . . . 0.0 108.512 172.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -44.13 -52.5 7.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 125.227 2.442 . . . . 0.0 108.908 172.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -84.63 80.49 9.23 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.389 -1.444 . . . . 0.0 110.245 176.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.716 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -57.2 -16.25 7.66 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -171.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 24.9 mmt180 -50.68 -29.61 11.61 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.018 171.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.982 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -86.47 -27.47 24.06 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.743 -172.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.0 m -73.63 -38.7 64.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -32.89 21.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.488 168.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.675 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 6.9 t-105 -77.41 -25.46 50.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.813 1.768 . . . . 0.0 109.965 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -77.23 6.91 5.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.843 1.424 . . . . 0.0 114.843 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.56 22.97 4.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 122.254 1.026 . . . . 0.0 110.403 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.675 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 17.4 t80 -141.53 -2.66 1.21 Allowed 'General case' 0 C--O 1.247 0.925 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.2 p -106.33 -147.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 120.804 -1.185 . . . . 0.0 109.737 -171.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.042 0.925 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.478 ' CD2' ' HD2' ' A' ' 22' ' ' LYS . 6.0 p90 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.655 1.217 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 7' ' ' CGU . 1.1 t30 52.76 43.04 31.86 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 173.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' A' ' 1' ' ' TYR . 17.2 m -89.21 -38.53 14.19 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.037 -1.039 . . . . 0.0 111.15 170.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -72.55 0.02 OUTLIER Glycine 0 CA--C 1.498 -1.009 1 N-CA-C 127.066 5.586 . . . . 0.0 127.066 -172.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -68.23 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.249 1.051 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -165.446 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.16 32.23 0.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 119.995 -1.691 . . . . 0.0 113.631 -169.124 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.82 -6.92 48.16 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.61 174.02 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 122.298 1.047 . . . . 0.0 110.727 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 10' ' ' VAL . 5.8 pt20 -72.84 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.728 0.775 . . . . 0.0 109.975 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.625 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -125.91 100.72 0.59 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-O 122.276 0.931 . . . . 0.0 110.83 -175.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.52 103.6 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.319 1.057 . . . . 0.0 111.034 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' CE2' ' A' ' 41' ' ' PHE . 1.8 mt -69.98 -12.4 61.58 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 174.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.496 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -80.41 -38.55 30.04 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.813 0.816 . . . . 0.0 111.132 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.551 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t -124.91 -33.55 2.91 Favored 'General case' 0 C--O 1.253 1.285 0 O-C-N 121.208 -0.933 . . . . 0.0 112.944 -172.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.496 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -79.0 -79.13 0.14 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 123.26 1.505 . . . . 0.0 108.467 -176.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD2' ' CD2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -118.3 163.39 16.77 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.141 -0.975 . . . . 0.0 110.709 -173.386 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -176.11 139.87 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 124.349 2.023 . . . . 0.0 115.579 -166.282 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -93.56 159.48 15.21 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.797 170.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE1' HG23 ' A' ' 38' ' ' THR . 30.7 t80 -51.92 -47.28 64.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.323 1.059 . . . . 0.0 111.242 172.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.04 76.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.18 33.53 0.34 Allowed 'General case' 0 C--O 1.25 1.113 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.605 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.625 HG13 ' CA ' ' A' ' 12' ' ' GLY . 88.3 t -67.94 -32.96 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 124.733 2.206 . . . . 0.0 109.3 170.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -94.31 -52.13 4.49 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 125.131 2.396 . . . . 0.0 107.548 -172.419 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -85.42 83.02 8.07 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 120.805 -1.184 . . . . 0.0 109.514 174.177 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.639 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t -54.13 -15.6 1.58 Allowed 'General case' 0 C--O 1.256 1.42 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -48.8 -34.57 12.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.402 173.508 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.913 HG23 ' CE1' ' A' ' 25' ' ' PHE . 2.9 t -84.88 -27.18 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.169 -170.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.5 m -70.13 -39.37 75.46 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 174.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.468 ' CE2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -52.55 -32.29 40.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.263 169.116 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.859 ' CE2' HG21 ' A' ' 46' ' ' VAL . 20.4 t-105 -77.06 -18.75 57.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.312 1.053 . . . . 0.0 110.978 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 13.85 6.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.887 0.851 . . . . 0.0 113.294 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.11 26.05 5.49 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 123.269 1.509 . . . . 0.0 110.116 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 64.4 t80 -144.96 -59.96 0.36 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.854 1.788 . . . . 0.0 108.915 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 42' ' ' TRP . 6.4 t -86.51 -135.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 124.489 1.116 . . . . 0.0 108.774 169.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' H ' HG12 ' A' ' 46' ' ' VAL . 7.1 t0 . . . . . 0 C--O 1.27 2.133 0 CA-C-O 122.132 0.968 . . . . 0.0 110.941 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.9 t80 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.685 0.755 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.05 88.34 5.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.318 1.056 . . . . 0.0 111.38 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -86.56 -6.3 58.92 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.29 41.13 8.27 Favored Glycine 0 C--O 1.239 0.416 0 O-C-N 121.304 -0.872 . . . . 0.0 112.134 -173.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' C ' HD23 ' A' ' 6' ' ' LEU . 8.7 mttt -113.54 -93.25 0.48 Allowed 'General case' 0 C--O 1.243 0.722 0 O-C-N 121.867 -0.784 . . . . 0.0 111.18 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -118.39 2.06 11.84 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.036 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.484 ' HG ' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.484 ' N ' ' HG ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.39 -15.56 63.33 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.243 0.544 . . . . 0.0 112.426 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.6 t -81.31 177.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.113 0.958 . . . . 0.0 110.576 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 3.8 mm100 -72.22 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.585 0.707 . . . . 0.0 109.884 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG12 ' A' ' 31' ' ' VAL . . . -107.23 97.53 1.19 Allowed Glycine 0 C--N 1.318 -0.42 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -136.21 88.22 2.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.253 1.025 . . . . 0.0 111.283 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.49 -13.02 60.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.55 ' HA ' ' CB ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 20' ' ' CGU . 0.0 OUTLIER -78.69 -6.77 56.67 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.185 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 16.7 t -110.76 -30.39 7.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.74 1.216 . . . . 0.0 112.88 -171.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.55 ' CB ' ' HA ' ' A' ' 15' ' ' CGU . 1.8 tpp -106.41 5.23 29.25 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.563 -0.71 . . . . 0.0 111.898 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CGU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -144.4 167.62 22.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.773 0.797 . . . . 0.0 111.178 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 175.23 142.15 0.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 125.145 2.402 . . . . 0.0 114.999 -165.429 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.462 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 5.6 p -93.52 161.97 14.15 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.548 -1.345 . . . . 0.0 110.754 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 38' ' ' THR . 57.8 t80 -61.84 -27.79 69.03 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.512 -0.743 . . . . 0.0 111.575 172.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CGU . . . . . 0.426 ' HG ' ' N ' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CGU . . . . . 0.469 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . -57.86 -40.57 80.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.168 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 12.65 0.12 Allowed 'General case' 0 C--O 1.25 1.098 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' HA2' ' A' ' 12' ' ' GLY . 2.9 t -64.85 -23.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 125.018 2.342 . . . . 0.0 110.129 171.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -112.65 -53.98 2.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 125.211 2.434 . . . . 0.0 109.037 -170.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.1 t-20 -84.41 80.08 9.34 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 120.695 -1.253 . . . . 0.0 109.768 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.732 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -56.68 -17.13 7.76 Favored 'General case' 0 C--O 1.255 1.364 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -170.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 55.2 mmt-85 -49.98 -31.3 12.3 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.906 173.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.818 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.62 -26.1 22.09 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.161 -0.616 . . . . 0.0 112.462 -171.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.9 m -69.86 -39.77 76.18 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 173.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -53.98 -30.26 46.41 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.141 170.161 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 13.6 t-105 -74.74 -9.24 58.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.67 0.748 . . . . 0.0 112.618 -172.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -14.15 44.58 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 123.409 1.576 . . . . 0.0 113.338 -173.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.42 -33.77 10.91 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.601 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 28.2 t80 -82.33 -25.39 33.94 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.44 -146.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.631 -0.668 . . . . 0.0 109.264 -173.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.037 0.922 . . . . 0.0 110.962 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.421 0.629 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.85 70.99 1.42 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.307 1.051 . . . . 0.0 110.933 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -86.26 -28.56 23.71 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.146 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.95 29.88 7.81 Favored Glycine 0 C--O 1.24 0.518 0 O-C-N 121.54 -0.725 . . . . 0.0 112.92 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.19 -129.34 0.0 OUTLIER 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.87 31.16 2.16 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.217 -0.927 . . . . 0.0 111.039 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.41 ' CD1' ' HG ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CGU . . . . . 0.41 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -91.61 -32.25 15.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.845 1.307 . . . . 0.0 110.262 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -86.08 -7.56 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.607 1.194 . . . . 0.0 114.177 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' ' 8' ' ' CGU . 20.6 pt20 -36.49 96.88 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 123.014 1.388 . . . . 0.0 112.445 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . 156.92 6.92 0.07 OUTLIER Glycine 0 C--O 1.248 1.022 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 171.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -115.87 90.13 3.27 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 120.712 -1.463 . . . . 0.0 109.508 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -81.83 19.38 1.1 Allowed 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -172.104 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CGU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -89.95 -33.34 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.779 0.8 . . . . 0.0 110.774 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CGU . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.9 t -169.42 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.256 1.445 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 170.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.668 ' HE1' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 mmt -83.89 -46.26 12.32 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.818 1.294 . . . . 0.0 110.346 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.98 163.79 0.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 169.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 164.41 142.54 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 123.952 1.834 . . . . 0.0 114.198 -167.648 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 p -92.85 155.42 17.63 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.624 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.872 ' CE1' HG23 ' A' ' 38' ' ' THR . 68.3 t80 -55.46 -27.74 50.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.949 0.881 . . . . 0.0 110.474 172.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.66 83.02 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.352 0.596 . . . . 0.0 110.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HG3' ' HB ' ' A' ' 35' ' ' THR . 25.8 ttt180 -72.15 21.99 0.06 Allowed 'General case' 0 C--O 1.254 1.317 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 4.4 t -71.22 -27.75 30.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 124.785 2.231 . . . . 0.0 110.254 171.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -101.03 -53.66 2.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 125.418 2.532 . . . . 0.0 107.648 -172.145 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -85.17 81.36 8.87 Favored 'General case' 0 C--N 1.314 -0.935 0 O-C-N 120.699 -1.251 . . . . 0.0 109.117 173.271 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.748 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t -54.28 -13.81 0.99 Allowed 'General case' 0 C--O 1.255 1.36 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -49.49 -35.77 20.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.358 172.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.872 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -85.86 -27.66 24.92 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 118.83 -0.605 . . . . 0.0 112.434 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 95.9 m -70.21 -35.74 74.11 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.7 OUTLIER -50.24 -31.99 15.46 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.625 170.082 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.554 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 16.5 t-105 -75.61 -28.07 58.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.187 0.994 . . . . 0.0 110.613 -171.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -81.5 12.48 3.7 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.2 27.11 4.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.412 1.101 . . . . 0.0 109.807 169.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 29.6 t80 -156.76 13.22 0.27 Allowed 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.872 0.844 . . . . 0.0 112.835 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.48 -149.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.837 0 O-C-N 120.304 -1.497 . . . . 0.0 109.717 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.27 2.181 0 CA-C-O 121.998 0.904 . . . . 0.0 111.032 -173.694 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 10.3 p90 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 121.762 0.792 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.03 67.27 0.97 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.241 1.019 . . . . 0.0 111.13 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -63.17 -29.21 70.61 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.291 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.97 62.32 0.97 Allowed Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.023 0.79 . . . . 0.0 111.171 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -134.9 -90.39 0.33 Allowed 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.956 -0.732 . . . . 0.0 111.137 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--N 1.319 -0.747 0 CA-C-O 122.279 1.037 . . . . 0.0 111.537 -174.648 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 C--O 1.243 0.729 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.33 177.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 122.294 1.045 . . . . 0.0 110.519 176.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.428 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 mm-40 -71.95 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.599 0.714 . . . . 0.0 109.797 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.705 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -120.78 103.41 0.91 Allowed Glycine 0 C--N 1.318 -0.466 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -174.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -138.29 104.53 5.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.427 1.108 . . . . 0.0 110.781 174.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 2.8 mt . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 5.8 t . . . . . 0 C--O 1.257 1.477 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.486 ' CE ' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.964 0.888 . . . . 0.0 109.642 -174.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.664 0 CA-C-O 121.472 0.653 . . . . 0.0 111.05 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 175.77 145.27 0.07 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 125.191 2.424 . . . . 0.0 115.368 -165.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -92.59 161.32 14.64 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.596 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE1' HG23 ' A' ' 38' ' ' THR . 42.3 t80 . . . . . 0 C--N 1.319 -0.745 0 CA-C-O 121.979 0.895 . . . . 0.0 110.35 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 122.028 0.918 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.207 0 N-CA-C 115.473 1.656 . . . . 0.0 115.473 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.705 HG13 ' HA3' ' A' ' 12' ' ' GLY . 55.2 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 124.658 2.171 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 124.633 2.158 . . . . 0.0 109.27 174.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.246 0.91 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.747 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.251 1.134 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -170.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 25.7 mmt180 . . . . . 0 C--O 1.245 0.866 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.953 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -89.51 -24.22 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.572 -170.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.6 m . . . . . 0 C--N 1.316 -0.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 176.579 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.142 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 7.0 t-105 -76.2 -27.54 56.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.705 1.24 . . . . 0.0 110.558 -172.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -83.07 13.36 4.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.2 14.91 4.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.049 0.928 . . . . 0.0 110.579 169.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 3.2 t80 -137.93 -9.28 1.57 Allowed 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.78 -142.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 O-C-N 120.652 -1.28 . . . . 0.0 110.132 -170.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' N ' HG13 ' A' ' 46' ' ' VAL . 4.9 t70 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.058 0.932 . . . . 0.0 110.883 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 16.9 t80 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 122.116 0.96 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.496 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.6 t-20 -91.29 83.12 5.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.417 1.103 . . . . 0.0 110.975 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -84.66 3.88 35.05 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.909 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.47 33.96 8.97 Favored Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.444 -0.785 . . . . 0.0 111.736 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -89.57 -87.73 0.17 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.925 -0.75 . . . . 0.0 110.931 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.32 -0.709 0 CA-C-O 122.483 1.135 . . . . 0.0 110.862 -175.206 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 C--O 1.247 0.934 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.58 173.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 122.353 1.073 . . . . 0.0 110.686 -174.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.6 mt-30 -77.79 16.92 0.61 Allowed 'General case' 0 C--O 1.248 0.998 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.915 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 86.56 123.01 1.5 Allowed Glycine 0 N--CA 1.464 0.515 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -157.49 95.62 1.47 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.893 0.854 . . . . 0.0 111.265 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.322 -0.6 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.357 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 8.6 t . . . . . 0 CA--C 1.508 -0.662 0 N-CA-C 112.405 0.521 . . . . 0.0 112.405 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 31.3 mmt . . . . . 0 C--O 1.244 0.788 0 O-C-N 121.45 -0.781 . . . . 0.0 111.507 -173.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 6.3 ttmt . . . . . 0 C--O 1.241 0.616 0 CA-C-O 121.4 0.619 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.531 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 176.92 137.95 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 124.387 2.042 . . . . 0.0 115.594 -169.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p -94.48 165.43 12.55 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 120.708 -1.245 . . . . 0.0 110.201 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.0 t80 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 121.851 0.834 . . . . 0.0 110.501 171.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.524 0.678 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 38' ' ' THR . 7.3 ttp180 . . . . . 0 C--O 1.256 1.428 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.915 HG13 ' HA3' ' A' ' 12' ' ' GLY . 85.8 t . . . . . 0 C--O 1.236 0.357 0 CA-C-O 124.663 2.173 . . . . 0.0 110.07 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.829 0 CA-C-O 125.085 2.374 . . . . 0.0 108.3 -170.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.851 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.745 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.254 1.341 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 17.6 mmm180 . . . . . 0 C--O 1.246 0.87 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.904 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.0 t -91.6 -24.91 19.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.893 -169.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.317 -0.816 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 174.609 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 121.172 0.511 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 5.8 t-105 -75.74 -29.68 58.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.755 1.264 . . . . 0.0 110.335 -173.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 7.13 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.42 1.105 . . . . 0.0 113.365 -174.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.86 -29.34 6.05 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.062 0.934 . . . . 0.0 111.324 170.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 28.6 t80 -92.19 -14.52 28.92 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 47' ' ' ASP . 4.4 p -87.09 -147.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.454 -0.779 . . . . 0.0 109.847 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 46' ' ' VAL . 33.5 t70 . . . . . 0 C--O 1.27 2.172 0 CA-C-O 121.868 0.842 . . . . 0.0 110.88 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.72 0.771 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.69 47.13 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.327 1.061 . . . . 0.0 111.144 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.69 -30.49 59.37 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.515 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 33.81 6.09 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 -89.65 0.3 Allowed 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.487 -1.008 . . . . 0.0 111.243 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.319 -0.718 0 CA-C-O 122.558 1.17 . . . . 0.0 111.054 -172.244 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 C--O 1.24 0.559 0 CA-C-O 121.648 0.737 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -80.05 177.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.475 1.131 . . . . 0.0 110.282 174.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' H ' HG12 ' A' ' 10' ' ' VAL . 19.0 mt-30 -70.46 -165.34 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 123.331 1.539 . . . . 0.0 109.857 -172.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -106.53 95.32 1.02 Allowed Glycine 0 C--N 1.319 -0.404 0 CA-C-O 122.878 1.266 . . . . 0.0 110.062 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -146.82 111.56 5.3 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.495 1.141 . . . . 0.0 110.325 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 41' ' ' PHE . 5.2 mt . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t . . . . . 0 C--O 1.246 0.884 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.46 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 mmt . . . . . 0 C--O 1.245 0.851 0 O-C-N 121.813 -0.554 . . . . 0.0 111.662 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 121.979 0.895 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 172.12 142.88 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 124.533 2.111 . . . . 0.0 115.005 -166.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -92.79 155.81 17.42 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.524 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.1 t80 . . . . . 0 C--N 1.318 -0.774 0 CA-C-O 122.307 1.051 . . . . 0.0 110.506 172.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 121.023 0.44 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.521 HG13 ' HA3' ' A' ' 12' ' ' GLY . 24.5 t . . . . . 0 C--O 1.236 0.343 0 CA-C-O 124.837 2.256 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 124.848 2.261 . . . . 0.0 108.154 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.518 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.838 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -170.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 9.1 mmt180 . . . . . 0 C--O 1.244 0.791 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.1 t -87.25 -24.96 24.21 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.745 -172.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.318 -0.789 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 173.35 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.236 0.363 0 CA-C-O 122.132 0.968 . . . . 0.0 109.383 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.659 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.2 t-105 -78.24 -30.11 48.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.125 0.964 . . . . 0.0 111.314 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -75.27 -7.71 54.65 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.792 1.758 . . . . 0.0 112.385 -171.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.72 -28.08 11.88 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.486 170.248 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.5 t80 -91.19 -4.09 56.41 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.6 p -120.03 -142.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 O-C-N 121.028 -1.045 . . . . 0.0 109.529 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 46' ' ' VAL . 39.4 t0 . . . . . 0 C--O 1.271 2.227 0 O-C-N 121.196 -0.94 . . . . 0.0 111.203 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.683 0.754 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -89.12 85.93 6.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.489 1.138 . . . . 0.0 112.445 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -86.81 -29.05 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.966 0.889 . . . . 0.0 110.5 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.56 29.17 24.99 Favored Glycine 0 C--O 1.243 0.66 0 O-C-N 121.807 -0.558 . . . . 0.0 113.378 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -115.72 -93.35 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.662 -0.905 . . . . 0.0 112.698 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.98 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 1.1 m-30 . . . . . 0 C--O 1.245 0.837 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -116.23 173.5 3.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.319 1.057 . . . . 0.0 110.828 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.8 mt-30 -72.95 -140.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.954 0.883 . . . . 0.0 110.209 -174.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -123.6 101.68 0.71 Allowed Glycine 0 C--N 1.319 -0.398 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.235 1.017 . . . . 0.0 111.243 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.534 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t . . . . . 0 C--O 1.247 0.962 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.488 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 32.1 mmt . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 122.606 1.193 . . . . 0.0 109.328 -174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.524 0 CA-C-O 121.509 0.671 . . . . 0.0 112.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 172.83 136.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 123.858 1.789 . . . . 0.0 115.044 -169.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 p -93.6 165.74 12.58 Favored 'General case' 0 C--O 1.243 0.732 0 O-C-N 121.1 -1.0 . . . . 0.0 110.084 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.862 ' CE1' HG23 ' A' ' 38' ' ' THR . 69.8 t80 . . . . . 0 C--N 1.32 -0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.019 171.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.529 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 . . . . . 0 C--O 1.254 1.337 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 174.268 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG22 ' HA2' ' A' ' 12' ' ' GLY . 11.4 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 124.683 2.182 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 125.714 2.673 . . . . 0.0 108.527 -171.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.746 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.255 1.359 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 121.124 0.488 . . . . 0.0 111.716 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.862 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -85.83 -26.64 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.317 -0.84 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 173.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.241 0.653 0 CA-C-O 121.232 0.539 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t-105 -76.65 -21.26 55.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.114 0.959 . . . . 0.0 111.065 -172.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 11.52 4.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.79 32.04 2.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 122.652 1.215 . . . . 0.0 109.76 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 73.6 t80 -145.41 -44.78 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.879 -173.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -7.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -174.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OXT' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.185 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.324 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.47 ' HB2' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 121.358 0.599 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 70.16 90.14 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.216 1.008 . . . . 0.0 112.237 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.13 -29.72 21.6 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.337 0.589 . . . . 0.0 111.245 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.12 42.91 2.7 Favored Glycine 0 C--O 1.243 0.708 0 O-C-N 121.543 -0.723 . . . . 0.0 113.705 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -79.69 0.34 Allowed 'General case' 0 C--O 1.244 0.766 0 O-C-N 121.766 -0.843 . . . . 0.0 111.064 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 O-C-N 121.579 -0.701 . . . . 0.0 112.034 174.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 C--O 1.242 0.687 0 CA-C-O 121.501 0.667 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -109.76 174.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.247 1.022 . . . . 0.0 110.49 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.425 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -77.2 19.7 0.31 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -173.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.746 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 68.94 109.28 0.02 OUTLIER Glycine 0 C--N 1.317 -0.493 0 CA-C-O 122.489 1.05 . . . . 0.0 111.177 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.2 104.59 3.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.422 1.106 . . . . 0.0 110.496 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' CYS . 38.5 mt . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 -173.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t . . . . . 0 C--O 1.246 0.896 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.481 ' HE2' ' C ' ' A' ' 18' ' ' CYS . 33.4 mmt . . . . . 0 C--N 1.317 -0.834 0 CA-C-O 122.872 1.32 . . . . 0.0 109.228 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.596 0 CA-C-O 121.415 0.626 . . . . 0.0 111.35 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 173.53 142.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 124.462 2.077 . . . . 0.0 114.216 -166.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.485 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 19.7 p -91.84 164.47 13.67 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.33 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 38' ' ' THR . 40.4 t80 . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.786 0.803 . . . . 0.0 110.225 172.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' HA2' ' A' ' 12' ' ' GLY . 17.8 t . . . . . 0 C--O 1.234 0.277 0 CA-C-O 124.859 2.266 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 126.474 3.035 . . . . 0.0 108.7 -170.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.254 1.305 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -170.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mmt180 . . . . . 0 C--O 1.247 0.942 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.02 -26.17 22.73 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.096 -172.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.318 -0.79 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 121.75 0.786 . . . . 0.0 109.855 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 15.9 t-105 -76.21 -22.68 54.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.602 1.667 . . . . 0.0 110.352 -174.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.4 13.23 0.99 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 173.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -131.69 4.5 4.24 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.411 0.684 . . . . 0.0 112.141 171.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 40.3 t80 -119.08 -34.9 3.75 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.383 -0.823 . . . . 0.0 112.331 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -77.39 1.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.475 1.131 . . . . 0.0 113.613 -175.137 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.272 2.259 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.794 0.807 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -85.0 88.91 7.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.459 1.123 . . . . 0.0 111.739 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -86.97 -28.12 22.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.609 0.718 . . . . 0.0 111.223 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.58 36.7 42.66 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 121.795 0.664 . . . . 0.0 111.607 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.32 -88.08 0.29 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.004 -0.704 . . . . 0.0 111.077 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 122.25 1.024 . . . . 0.0 110.848 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.32 1.057 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.82 -7.23 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 123.545 1.641 . . . . 0.0 113.96 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.86 135.4 0.65 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 123.768 1.747 . . . . 0.0 111.485 175.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.656 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 125.95 17.23 2.55 Favored Glycine 0 C--O 1.238 0.398 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.943 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -129.65 101.31 5.86 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.308 1.051 . . . . 0.0 110.86 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 111.683 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t . . . . . 0 CA--C 1.507 -0.685 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.473 ' HE1' ' CZ ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.812 0 CA-C-O 121.783 0.801 . . . . 0.0 112.088 -170.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.502 0 CA-C-O 122.285 1.04 . . . . 0.0 112.619 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 174.49 134.75 0.04 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 123.481 1.61 . . . . 0.0 114.197 -170.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -93.05 164.57 13.22 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.358 170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.842 ' CE2' HG23 ' A' ' 38' ' ' THR . 40.6 t80 . . . . . 0 C--N 1.314 -0.959 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 170.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 121.342 0.592 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.258 1.55 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -178.272 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.656 HG22 ' HA2' ' A' ' 12' ' ' GLY . 14.6 t . . . . . 0 C--O 1.236 0.382 0 CA-C-O 124.776 2.226 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.839 0 CA-C-O 125.234 2.445 . . . . 0.0 108.734 -170.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.6 t-20 . . . . . 0 C--O 1.242 0.706 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.75 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.251 1.141 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.543 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 8.0 mmm180 . . . . . 0 C--O 1.244 0.793 0 CA-C-O 121.018 0.437 . . . . 0.0 111.842 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.842 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -89.76 -20.77 23.15 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.436 -169.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 5.3 m . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 121.156 0.503 . . . . 0.0 112.068 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.473 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.4 OUTLIER . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 121.807 0.813 . . . . 0.0 109.44 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 19.8 t-105 -77.35 -22.43 51.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.536 1.636 . . . . 0.0 110.638 -173.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.62 8.29 3.05 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -133.04 32.6 3.74 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 123.469 1.604 . . . . 0.0 108.506 170.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 86.9 t80 -179.67 71.71 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.398 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.2 p -148.54 -150.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 121.523 -0.736 . . . . 0.0 109.874 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 46' ' ' VAL . 7.8 t0 . . . . . 0 C--O 1.269 2.124 0 CA-C-O 122.038 0.923 . . . . 0.0 111.396 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.345 1.069 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -103.85 76.33 1.36 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.708 1.242 . . . . 0.0 110.315 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.43 -34.19 60.97 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.391 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.38 70.41 1.07 Allowed Glycine 0 CA--C 1.508 -0.346 0 CA-C-O 122.15 0.861 . . . . 0.0 112.283 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -130.28 -89.6 0.48 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.818 -0.813 . . . . 0.0 111.084 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.245 0.84 0 O-C-N 121.601 -0.687 . . . . 0.0 112.827 176.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--O 1.237 0.408 0 CA-C-O 123.041 1.401 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -94.09 -2.66 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.09 15.81 0.08 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.479 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . -99.11 65.86 0.67 Allowed Glycine 0 C--N 1.318 -0.465 0 CA-C-O 122.831 1.239 . . . . 0.0 111.717 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -161.8 116.19 1.93 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.809 -0.696 . . . . 0.0 110.445 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 121.59 0.71 . . . . 0.0 112.641 -173.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.7 t . . . . . 0 C--O 1.256 1.437 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.743 0 O-C-N 120.235 -1.54 . . . . 0.0 110.336 -176.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tttt . . . . . 0 C--O 1.235 0.327 0 CA-C-O 124.174 1.94 . . . . 0.0 114.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -171.67 142.46 1.58 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.843 1.782 . . . . 0.0 113.45 -166.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 p -92.22 160.3 15.23 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.114 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.7 t80 . . . . . 0 C--N 1.318 -0.762 0 CA-C-O 121.974 0.892 . . . . 0.0 110.086 171.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 121.418 0.627 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 3.1 t . . . . . 0 N--CA 1.465 0.291 0 CA-C-O 124.833 2.254 . . . . 0.0 108.704 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 125.036 2.35 . . . . 0.0 108.609 172.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 12.3 t-20 . . . . . 0 C--O 1.244 0.795 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' THR . 2.9 t . . . . . 0 C--O 1.252 1.226 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.659 0 CA-C-O 120.882 0.372 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.2 t -85.85 -28.65 24.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.169 -172.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--N 1.317 -0.817 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 174.334 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.584 0 CA-C-O 121.414 0.626 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.5 t-105 -76.74 -25.27 53.3 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.891 1.805 . . . . 0.0 110.009 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -80.89 11.79 3.72 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.008 -1.057 . . . . 0.0 113.501 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.3 27.29 3.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.276 1.036 . . . . 0.0 110.193 171.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 32.2 t80 -155.43 14.54 0.37 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.204 1.002 . . . . 0.0 112.417 -173.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.6 p -121.3 -150.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.778 0 O-C-N 120.6 -1.312 . . . . 0.0 109.612 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 46' ' ' VAL . 23.1 m-20 . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.057 0.932 . . . . 0.0 111.085 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.7 0.762 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -128.76 67.04 1.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.488 1.137 . . . . 0.0 110.641 -173.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -59.25 -25.97 64.51 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.363 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.0 40.93 93.44 Favored Glycine 0 C--N 1.319 -0.395 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.638 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.37 -82.5 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.029 -0.689 . . . . 0.0 111.065 175.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 5' ' ' LYS . 1.2 pt? . . . . . 0 C--O 1.243 0.758 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.247 0.94 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.4 t -111.7 168.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 123.383 1.563 . . . . 0.0 111.444 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 12' ' ' GLY . 56.3 mt-30 -77.11 93.95 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 124.191 0.996 . . . . 0.0 113.035 -172.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -1.53 98.19 0.01 OUTLIER Glycine 0 C--N 1.316 -0.54 0 C-N-CA 125.476 1.512 . . . . 0.0 113.175 169.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -153.19 117.16 4.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.272 1.034 . . . . 0.0 109.95 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.706 -173.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t . . . . . 0 CA--C 1.508 -0.668 0 CA-C-O 121.487 0.661 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.44 ' HE2' ' O ' ' A' ' 14' ' ' LEU . 4.3 mmt . . . . . 0 C--O 1.245 0.863 0 O-C-N 121.779 -0.576 . . . . 0.0 112.477 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 121.544 0.688 . . . . 0.0 112.733 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 171.48 145.79 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 124.868 2.27 . . . . 0.0 114.347 -166.109 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -92.67 156.16 17.25 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 114.117 -1.402 . . . . 0.0 110.172 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.3 t80 . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 122.029 0.919 . . . . 0.0 110.685 172.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.104 0.478 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 . . . . . 0 C--O 1.257 1.45 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.824 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG22 ' HA2' ' A' ' 12' ' ' GLY . 49.9 t . . . . . 0 C--O 1.234 0.283 0 CA-C-O 124.752 2.215 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.317 -0.833 0 CA-C-O 125.25 2.452 . . . . 0.0 108.064 -171.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.926 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.757 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t . . . . . 0 C--O 1.255 1.35 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 15.1 mmt85 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 120.904 0.383 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.3 t -88.4 -25.14 22.84 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.381 -171.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m . . . . . 0 C--N 1.318 -0.786 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 173.178 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 121.723 0.773 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.793 ' O ' HG12 ' A' ' 46' ' ' VAL . 5.2 t-105 -76.77 -26.58 54.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.349 1.071 . . . . 0.0 111.131 -173.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -16.73 63.28 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.503 1.62 . . . . 0.0 113.397 -174.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -114.12 34.93 4.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.38 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.67 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.2 t80 -148.99 -70.28 0.21 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.097 0.951 . . . . 0.0 110.71 -174.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER 13.67 123.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 C-N-CA 129.068 2.947 . . . . 0.0 117.038 171.674 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.27 2.17 0 O-C-N 120.446 -1.409 . . . . 0.0 110.964 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 43.5 p90 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 121.638 0.733 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.0 t-20 -173.24 77.69 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.968 0.89 . . . . 0.0 111.677 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -87.38 -31.39 20.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 0.0 110.917 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.03 29.65 40.97 Favored Glycine 0 C--O 1.241 0.551 0 CA-C-O 121.667 0.593 . . . . 0.0 113.013 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -96.07 -88.42 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.665 -0.903 . . . . 0.0 110.921 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.707 0 CA-C-O 122.776 1.274 . . . . 0.0 110.935 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.783 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.6 t -81.26 -177.37 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-O 122.072 0.939 . . . . 0.0 110.234 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -76.23 14.2 0.78 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -173.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 59.68 97.78 0.01 OUTLIER Glycine 0 C--N 1.317 -0.498 0 CA-C-O 122.534 1.074 . . . . 0.0 110.752 -174.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -150.8 95.24 2.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.026 0.917 . . . . 0.0 110.704 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 121.74 0.781 . . . . 0.0 110.805 -175.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.581 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.6 t . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 122.926 1.346 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HE3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.317 -0.846 0 CA-C-O 123.468 1.604 . . . . 0.0 110.883 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.063 0.458 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 171.52 135.54 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 124.133 1.92 . . . . 0.0 115.057 -170.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.9 p -94.28 153.61 17.94 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.601 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.997 ' CE1' HG23 ' A' ' 38' ' ' THR . 70.1 t80 . . . . . 0 C--N 1.312 -1.05 0 CA-C-O 123.968 1.842 . . . . 0.0 107.145 168.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 121.208 0.528 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.549 ' HD3' ' HB ' ' A' ' 35' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 O-C-N 121.008 -1.058 . . . . 0.0 113.4 -172.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 12' ' ' GLY . 8.8 t . . . . . 0 C--O 1.235 0.322 0 CA-C-O 124.244 1.973 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 37' ' ' ARG . 6.5 t80 . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 126.403 3.001 . . . . 0.0 108.967 170.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.024 0 N-CA-C 110.538 -0.171 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.759 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.5 t . . . . . 0 C--O 1.25 1.121 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 10.2 mmt85 . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 121.539 0.685 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.997 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.3 t -87.96 -17.17 31.87 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -166.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.624 0.726 . . . . 0.0 110.584 171.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.585 0 CA-C-O 121.686 0.755 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 11.4 t-105 -77.23 -23.79 51.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 123.102 1.43 . . . . 0.0 110.754 -171.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.23 14.95 2.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.171 0.986 . . . . 0.0 113.601 175.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -138.93 18.3 2.64 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.907 0.861 . . . . 0.0 110.632 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 11.9 t80 -138.26 -3.19 1.77 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.4 p -99.52 -140.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.922 -1.111 . . . . 0.0 109.611 -172.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.517 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.5 t0 . . . . . 0 C--O 1.271 2.205 0 CA-C-O 121.92 0.867 . . . . 0.0 111.055 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 22' ' ' LYS . 2.6 p90 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 123.167 1.461 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 50.88 51.22 17.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.276 1.036 . . . . 0.0 111.891 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -66.95 -32.71 74.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.748 0.785 . . . . 0.0 112.202 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.77 47.33 3.45 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 6' ' ' LEU . 5.7 ttpt -116.98 -91.56 0.54 Allowed 'General case' 0 C--O 1.244 0.787 0 O-C-N 122.0 -0.706 . . . . 0.0 111.007 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 4.8 mt . . . . . 0 C--N 1.318 -0.764 0 O-C-N 121.408 -0.808 . . . . 0.0 112.795 -175.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.711 0 CA-C-O 121.36 0.6 . . . . 0.0 112.194 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -129.15 172.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 122.308 1.052 . . . . 0.0 110.58 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 26.5 mt-30 -72.89 -139.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.304 1.05 . . . . 0.0 110.34 -174.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.84 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -111.08 97.86 0.99 Allowed Glycine 0 C--N 1.318 -0.432 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.29 99.14 4.59 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.252 1.025 . . . . 0.0 111.04 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -174.353 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t . . . . . 0 C--O 1.246 0.883 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.502 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 29.6 mmt . . . . . 0 C--O 1.241 0.614 0 O-C-N 121.069 -1.019 . . . . 0.0 111.089 -171.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 1' ' ' TYR . 5.1 ttpt . . . . . 0 CA--C 1.512 -0.517 0 CA-C-O 121.397 0.618 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 169.49 141.06 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 123.847 1.785 . . . . 0.0 113.75 -167.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 10.3 p -93.21 165.14 12.96 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.095 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.9 t80 . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 121.797 0.808 . . . . 0.0 110.643 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.316 0.579 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.28 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.84 HG13 ' HA3' ' A' ' 12' ' ' GLY . 5.2 t . . . . . 0 C--O 1.236 0.375 0 CA-C-O 124.463 2.077 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.316 -0.864 0 CA-C-O 125.78 2.705 . . . . 0.0 107.782 -170.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 8.7 t-20 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.7 t . . . . . 0 C--O 1.256 1.427 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.816 0.341 . . . . 0.0 111.243 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -85.67 -28.75 24.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.286 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.246 0.877 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 174.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.707 0 CA-C-O 121.264 0.554 . . . . 0.0 110.52 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.7 t-105 -76.31 -25.86 55.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.993 0.901 . . . . 0.0 110.613 -172.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.34 12.42 2.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -118.31 -37.79 3.29 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.403 1.097 . . . . 0.0 110.464 171.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 23.1 t80 -80.18 -23.89 40.7 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 47' ' ' ASP . 7.1 p -80.32 -136.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.423 -0.798 . . . . 0.0 108.974 -173.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 46' ' ' VAL . 11.3 t70 . . . . . 0 C--O 1.27 2.159 0 CA-C-O 121.98 0.895 . . . . 0.0 110.974 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 36.9 p90 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.543 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 8.8 t-20 -178.8 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.072 0.939 . . . . 0.0 111.085 -173.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -33.87 18.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.78 0.8 . . . . 0.0 111.122 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.69 23.0 8.54 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 121.727 -0.608 . . . . 0.0 112.759 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.6 -72.53 0.22 Allowed 'General case' 0 C--O 1.245 0.817 0 O-C-N 121.633 -0.922 . . . . 0.0 110.895 -178.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 9' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 122.409 1.099 . . . . 0.0 110.631 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 6' ' ' LEU . 24.2 m-85 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -88.67 172.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.491 1.138 . . . . 0.0 110.932 -173.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -78.0 14.33 1.16 Allowed 'General case' 0 C--O 1.246 0.899 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -173.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.587 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 74.24 115.7 0.08 OUTLIER Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -174.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -146.7 108.25 4.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.89 0.852 . . . . 0.0 110.685 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.729 0.776 . . . . 0.0 111.847 -173.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 6.2 t . . . . . 0 C--O 1.247 0.948 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.44 ' HE2' ' N ' ' A' ' 19' ' ' MET . 1.6 tpp . . . . . 0 C--N 1.318 -0.781 0 O-C-N 120.92 -1.113 . . . . 0.0 112.905 -170.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 121.457 0.646 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 178.07 143.48 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.77 2.7 . . . . 0.0 115.082 -166.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.0 p -92.79 154.25 18.39 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.914 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 5.4 t80 . . . . . 0 C--N 1.318 -0.765 0 O-C-N 121.409 -0.807 . . . . 0.0 111.647 172.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.624 0 CA-C-O 122.778 1.275 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.314 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.587 HG22 ' HA2' ' A' ' 12' ' ' GLY . 70.3 t . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 124.289 1.995 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.559 0 CA-C-O 125.296 2.474 . . . . 0.0 108.895 172.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.675 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.255 1.379 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 12.0 mmm180 . . . . . 0 C--O 1.242 0.685 0 CA-C-O 120.668 0.271 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 35' ' ' THR . 4.2 t -86.16 -30.85 22.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.215 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.247 0.923 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 174.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.244 0.777 0 CA-C-O 121.168 0.509 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.652 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 4.7 t-105 -76.57 -29.56 56.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.236 1.493 . . . . 0.0 110.226 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 14.09 4.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 122.228 1.013 . . . . 0.0 113.613 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -134.84 17.81 3.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.443 1.116 . . . . 0.0 109.879 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 2.1 t80 -139.51 -16.83 1.02 Allowed 'General case' 0 C--O 1.252 1.212 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.9 p -81.82 -139.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 O-C-N 120.691 -1.255 . . . . 0.0 109.399 -172.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' VAL . 15.2 t0 . . . . . 0 C--O 1.27 2.168 0 CA-C-O 122.037 0.922 . . . . 0.0 111.005 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.442 ' HB2' ' HE2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 121.953 0.883 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -171.39 71.56 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.52 1.152 . . . . 0.0 110.732 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -55.2 -28.58 54.05 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.648 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.78 29.71 20.22 Favored Glycine 0 C--O 1.24 0.488 0 O-C-N 121.586 -0.696 . . . . 0.0 112.729 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -87.24 -85.8 0.16 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.708 -0.878 . . . . 0.0 111.27 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.269 1.033 . . . . 0.0 111.139 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.246 0.92 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -97.22 173.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.586 1.184 . . . . 0.0 110.972 -173.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.9 pt20 -78.08 19.89 0.4 Allowed 'General case' 0 C--O 1.25 1.086 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.576 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 81.23 106.68 0.33 Allowed Glycine 0 C--N 1.318 -0.442 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -174.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -146.07 106.33 4.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.153 0.978 . . . . 0.0 110.582 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 5.3 mt . . . . . 0 C--N 1.319 -0.734 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 6.4 t . . . . . 0 C--O 1.259 1.58 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.559 ' HE3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 122.311 1.053 . . . . 0.0 109.431 -173.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.66 0 CA-C-O 121.243 0.544 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.557 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 175.46 143.47 0.06 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.823 2.249 . . . . 0.0 115.85 -166.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 p -93.85 152.7 18.71 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.982 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.959 ' CE1' HG23 ' A' ' 38' ' ' THR . 54.5 t80 . . . . . 0 C--N 1.317 -0.806 0 O-C-N 121.575 -0.703 . . . . 0.0 111.717 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.299 1.047 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 . . . . . 0 C--O 1.252 1.215 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -174.424 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HA3' ' A' ' 12' ' ' GLY . 23.7 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 124.092 1.901 . . . . 0.0 108.632 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 125.351 2.5 . . . . 0.0 108.733 172.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.0 t-20 . . . . . 0 C--O 1.244 0.766 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.752 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -170.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.792 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.959 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.4 t -88.53 -24.75 22.84 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.966 -0.693 . . . . 0.0 111.808 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--N 1.317 -0.816 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 175.184 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.571 0 CA-C-O 121.661 0.743 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 9.6 t-105 -76.69 -29.83 56.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.224 1.011 . . . . 0.0 111.048 -171.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.54 -22.28 64.51 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 124.05 1.881 . . . . 0.0 112.72 -173.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 9.1 tt0 -94.0 -28.11 15.95 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.864 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 45.2 t80 -86.73 -11.0 52.4 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.5 p -95.93 -148.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.41 -0.806 . . . . 0.0 109.357 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' VAL . 5.7 t70 . . . . . 0 C--O 1.27 2.142 0 CA-C-O 122.106 0.955 . . . . 0.0 110.967 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.44 ' H1 ' ' HA ' ' A' ' 23' ' ' CYS . 6.0 t80 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.226 0.536 . . . . 0.0 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 49.86 59.25 4.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.283 1.039 . . . . 0.0 112.019 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -59.57 -32.55 70.47 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.649 0.738 . . . . 0.0 111.657 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 28.62 66.48 Favored Glycine 0 C--O 1.24 0.482 0 O-C-N 121.706 -0.621 . . . . 0.0 112.021 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -105.73 0.17 Allowed 'General case' 0 C--O 1.25 1.128 0 O-C-N 121.81 -0.818 . . . . 0.0 110.499 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 O-C-N 121.048 -1.033 . . . . 0.0 111.313 -176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 . . . . . 0 CA--C 1.51 -0.586 0 CA-C-O 121.726 0.774 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -82.67 171.18 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 123.028 1.394 . . . . 0.0 110.937 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.54 -156.68 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.929 1.347 . . . . 0.0 110.185 -172.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.834 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -98.0 95.86 1.7 Allowed Glycine 0 C--N 1.319 -0.393 0 CA-C-O 122.778 1.21 . . . . 0.0 110.603 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -145.93 103.14 3.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.37 0.605 . . . . 0.0 110.274 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.144 0.497 . . . . 0.0 111.798 -175.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.6 t . . . . . 0 CA--C 1.506 -0.731 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.487 ' CE ' ' CZ ' ' A' ' 41' ' ' PHE . 23.3 mmt . . . . . 0 C--O 1.243 0.737 0 O-C-N 121.695 -0.628 . . . . 0.0 111.139 -173.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 16.2 ttmt . . . . . 0 C--O 1.242 0.659 0 CA-C-O 121.272 0.558 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -178.1 138.56 0.2 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 124.394 2.045 . . . . 0.0 115.916 -167.406 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -94.55 164.11 13.12 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 110.114 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.986 ' CE1' HG23 ' A' ' 38' ' ' THR . 62.2 t80 . . . . . 0 C--N 1.319 -0.739 0 O-C-N 121.455 -0.778 . . . . 0.0 110.778 171.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . . . . . . 0 CA--C 1.512 -0.492 0 CA-C-O 122.849 1.309 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.108 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -175.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.834 HG13 ' CA ' ' A' ' 12' ' ' GLY . 43.0 t . . . . . 0 C--O 1.234 0.262 0 CA-C-O 124.153 1.93 . . . . 0.0 108.78 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 125.183 2.42 . . . . 0.0 108.879 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.8 t-20 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.0 t . . . . . 0 C--O 1.254 1.294 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -170.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 mmt180 . . . . . 0 C--O 1.244 0.796 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.986 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -87.28 -23.9 24.52 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.839 -0.744 . . . . 0.0 111.36 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--O 1.246 0.893 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 175.665 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.24 0.566 0 CA-C-O 121.449 0.642 . . . . 0.0 110.442 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t-105 -76.15 -19.53 58.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.391 0.615 . . . . 0.0 112.097 -172.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -75.19 -21.67 58.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.483 1.611 . . . . 0.0 113.158 -174.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -101.44 17.16 23.42 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.307 -1.77 . . . . 0.0 112.122 174.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 33.7 t80 -138.15 -8.71 1.54 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.94 -149.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 120.977 -1.077 . . . . 0.0 109.989 -171.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.4 m-20 . . . . . 0 C--O 1.271 2.203 0 CA-C-O 121.928 0.87 . . . . 0.0 110.986 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.826 0.822 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.88 60.75 1.26 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.409 1.1 . . . . 0.0 110.653 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -81.69 8.13 10.71 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.34 57.74 7.9 Favored Glycine 0 C--N 1.318 -0.431 0 O-C-N 121.407 -0.808 . . . . 0.0 112.247 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 3.0 mmpt? -113.05 -86.3 0.57 Allowed 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.005 -0.703 . . . . 0.0 110.999 174.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 176.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 C--O 1.246 0.881 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -102.65 173.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.21 1.005 . . . . 0.0 110.589 -175.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -72.91 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.765 0.793 . . . . 0.0 110.108 -174.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -127.96 103.23 0.62 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -147.57 110.39 4.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.454 1.121 . . . . 0.0 110.725 -174.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.32 -0.7 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -174.331 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.593 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 7.8 t . . . . . 0 C--O 1.245 0.831 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.593 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 16.7 mmt . . . . . 0 C--O 1.246 0.899 0 O-C-N 121.99 -0.444 . . . . 0.0 111.852 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 174.41 144.13 0.05 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 124.575 2.131 . . . . 0.0 114.874 -165.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -92.94 154.69 18.03 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.227 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.982 ' CE1' HG23 ' A' ' 38' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.318 -0.77 0 O-C-N 121.459 -0.775 . . . . 0.0 111.655 173.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 122.228 1.013 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.142 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -174.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.565 HG22 ' HA2' ' A' ' 12' ' ' GLY . 20.4 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 124.037 1.875 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 125.227 2.442 . . . . 0.0 108.908 172.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.098 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.716 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t . . . . . 0 C--O 1.256 1.425 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -171.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 24.9 mmt180 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.982 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -86.47 -27.47 24.06 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.743 -172.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.262 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.442 0 CA-C-O 121.663 0.744 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.675 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 6.9 t-105 -77.41 -25.46 50.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.813 1.768 . . . . 0.0 109.965 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -77.23 6.91 5.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.843 1.424 . . . . 0.0 114.843 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.56 22.97 4.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 122.254 1.026 . . . . 0.0 110.403 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.675 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 17.4 t80 -141.53 -2.66 1.21 Allowed 'General case' 0 C--O 1.247 0.925 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.2 p -106.33 -147.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 120.804 -1.185 . . . . 0.0 109.737 -171.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.042 0.925 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.478 ' CD2' ' HD2' ' A' ' 22' ' ' LYS . 6.0 p90 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.655 1.217 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 52.76 43.04 31.86 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 173.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' A' ' 1' ' ' TYR . 17.2 m -89.21 -38.53 14.19 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.037 -1.039 . . . . 0.0 111.15 170.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -72.55 0.02 OUTLIER Glycine 0 CA--C 1.498 -1.009 1 N-CA-C 127.066 5.586 . . . . 0.0 127.066 -172.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -68.23 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.249 1.051 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -165.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 O-C-N 119.995 -1.691 . . . . 0.0 113.631 -169.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.246 0.909 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.61 174.02 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 122.298 1.047 . . . . 0.0 110.727 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 10' ' ' VAL . 30.5 pt20 -72.84 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.728 0.775 . . . . 0.0 109.975 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.625 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -125.91 100.72 0.59 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-O 122.276 0.931 . . . . 0.0 110.83 -175.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.52 103.6 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.319 1.057 . . . . 0.0 111.034 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' CE2' ' A' ' 41' ' ' PHE . 1.8 mt . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 174.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.551 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t . . . . . 0 C--O 1.253 1.285 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE1' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 123.26 1.505 . . . . 0.0 108.467 -176.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD2' ' CD2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.772 0.796 . . . . 0.0 110.709 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -176.11 139.87 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 124.349 2.023 . . . . 0.0 115.579 -166.282 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -93.56 159.48 15.21 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.797 170.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE1' HG23 ' A' ' 38' ' ' THR . 30.7 t80 . . . . . 0 C--N 1.318 -0.797 0 CA-C-O 122.323 1.059 . . . . 0.0 111.242 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.032 0.444 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.625 HG13 ' CA ' ' A' ' 12' ' ' GLY . 88.3 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 124.733 2.206 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 125.131 2.396 . . . . 0.0 107.548 -172.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.008 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.639 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t . . . . . 0 C--O 1.256 1.42 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.153 0.501 . . . . 0.0 111.402 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.913 HG23 ' CE1' ' A' ' 25' ' ' PHE . 2.9 t -84.88 -27.18 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.169 -170.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.316 -0.85 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 174.586 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.468 ' CE2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.512 -0.507 0 CA-C-O 121.702 0.763 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.859 ' CE2' HG21 ' A' ' 46' ' ' VAL . 20.4 t-105 -77.06 -18.75 57.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.312 1.053 . . . . 0.0 110.978 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 13.85 6.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.887 0.851 . . . . 0.0 113.294 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.11 26.05 5.49 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 123.269 1.509 . . . . 0.0 110.116 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 64.4 t80 -144.96 -59.96 0.36 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.854 1.788 . . . . 0.0 108.915 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 42' ' ' TRP . 6.4 t -86.51 -135.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 124.489 1.116 . . . . 0.0 108.774 169.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' H ' HG12 ' A' ' 46' ' ' VAL . 7.1 t0 . . . . . 0 C--O 1.27 2.133 0 CA-C-O 122.132 0.968 . . . . 0.0 110.941 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.9 t80 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.685 0.755 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.05 88.34 5.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.318 1.056 . . . . 0.0 111.38 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -86.56 -6.3 58.92 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.29 41.13 8.27 Favored Glycine 0 C--O 1.239 0.416 0 O-C-N 121.304 -0.872 . . . . 0.0 112.134 -173.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.462 ' C ' HD23 ' A' ' 6' ' ' LEU . 8.7 mttt -113.54 -93.25 0.48 Allowed 'General case' 0 C--O 1.243 0.722 0 O-C-N 121.867 -0.784 . . . . 0.0 111.18 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.859 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--O 1.243 0.75 0 CA-C-O 121.243 0.544 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.6 t -81.31 177.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.113 0.958 . . . . 0.0 110.576 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 3.8 mm100 -72.22 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.585 0.707 . . . . 0.0 109.884 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG12 ' A' ' 31' ' ' VAL . . . -107.23 97.53 1.19 Allowed Glycine 0 C--N 1.318 -0.42 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -136.21 88.22 2.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.253 1.025 . . . . 0.0 111.283 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.648 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 16.7 t . . . . . 0 CA--C 1.506 -0.729 0 CA-C-O 122.056 0.932 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' ' N ' ' A' ' 19' ' ' MET . 1.8 tpp . . . . . 0 C--N 1.318 -0.777 0 O-C-N 121.563 -0.71 . . . . 0.0 111.898 -170.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.773 0.797 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 175.23 142.15 0.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 125.145 2.402 . . . . 0.0 114.999 -165.429 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.462 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 5.6 p -93.52 161.97 14.15 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.548 -1.345 . . . . 0.0 110.754 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 38' ' ' THR . 57.8 t80 . . . . . 0 C--N 1.319 -0.74 0 O-C-N 121.512 -0.743 . . . . 0.0 111.575 172.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 121.31 0.576 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.098 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -176.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' HA2' ' A' ' 12' ' ' GLY . 2.9 t . . . . . 0 C--O 1.237 0.395 0 CA-C-O 125.018 2.342 . . . . 0.0 110.129 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.319 -0.753 0 CA-C-O 125.211 2.434 . . . . 0.0 109.037 -170.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.1 t-20 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.732 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t . . . . . 0 C--O 1.255 1.364 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -170.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 55.2 mmt-85 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 120.924 0.392 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.818 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.62 -26.1 22.09 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.161 -0.616 . . . . 0.0 112.462 -171.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.9 m . . . . . 0 C--N 1.316 -0.875 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 173.698 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.241 0.656 0 CA-C-O 121.46 0.648 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 13.6 t-105 -74.74 -9.24 58.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.67 0.748 . . . . 0.0 112.618 -172.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -14.15 44.58 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 123.409 1.576 . . . . 0.0 113.338 -173.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.42 -33.77 10.91 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.601 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 28.2 t80 -82.33 -25.39 33.94 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.44 -146.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.631 -0.668 . . . . 0.0 109.264 -173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.037 0.922 . . . . 0.0 110.962 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.421 0.629 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -100.85 70.99 1.42 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.307 1.051 . . . . 0.0 110.933 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -86.26 -28.56 23.71 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.146 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.95 29.88 7.81 Favored Glycine 0 C--O 1.24 0.518 0 O-C-N 121.54 -0.725 . . . . 0.0 112.92 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.19 -129.34 0.0 OUTLIER 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.317 -0.815 0 O-C-N 121.217 -0.927 . . . . 0.0 111.039 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 CA--C 1.514 -0.438 0 CA-C-O 122.845 1.307 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -86.08 -7.56 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.607 1.194 . . . . 0.0 114.177 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -36.49 96.88 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 123.014 1.388 . . . . 0.0 112.445 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . 156.92 6.92 0.07 OUTLIER Glycine 0 C--O 1.248 1.022 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 171.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -115.87 90.13 3.27 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 120.712 -1.463 . . . . 0.0 109.508 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.718 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -172.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.9 t . . . . . 0 C--O 1.256 1.445 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.668 ' HE1' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 mmt . . . . . 0 C--N 1.318 -0.791 0 CA-C-O 122.818 1.294 . . . . 0.0 110.346 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 164.41 142.54 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 123.952 1.834 . . . . 0.0 114.198 -167.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 p -92.85 155.42 17.63 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.624 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.872 ' CE1' HG23 ' A' ' 38' ' ' THR . 68.3 t80 . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 121.949 0.881 . . . . 0.0 110.474 172.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.352 0.596 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HG3' ' HB ' ' A' ' 35' ' ' THR . 25.8 ttt180 . . . . . 0 C--O 1.254 1.317 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -177.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 4.4 t . . . . . 0 C--O 1.236 0.351 0 CA-C-O 124.785 2.231 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.318 -0.779 0 CA-C-O 125.418 2.532 . . . . 0.0 107.648 -172.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.887 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.748 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t . . . . . 0 C--O 1.255 1.36 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -171.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.635 0 CA-C-O 121.284 0.564 . . . . 0.0 111.358 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.872 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -85.86 -27.66 24.92 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 118.83 -0.605 . . . . 0.0 112.434 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 95.9 m . . . . . 0 C--N 1.316 -0.874 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.839 0 CA-C-O 121.047 0.451 . . . . 0.0 110.625 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.554 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 16.5 t-105 -75.61 -28.07 58.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.187 0.994 . . . . 0.0 110.613 -171.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -81.5 12.48 3.7 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.2 27.11 4.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.412 1.101 . . . . 0.0 109.807 169.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 29.6 t80 -156.76 13.22 0.27 Allowed 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.872 0.844 . . . . 0.0 112.835 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.48 -149.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.837 0 O-C-N 120.304 -1.497 . . . . 0.0 109.717 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.27 2.181 0 CA-C-O 121.998 0.904 . . . . 0.0 111.032 -173.694 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.475 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 10.3 p90 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 121.762 0.792 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.03 67.27 0.97 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.241 1.019 . . . . 0.0 111.13 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -63.17 -29.21 70.61 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.291 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.97 62.32 0.97 Allowed Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.023 0.79 . . . . 0.0 111.171 176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -134.9 -90.39 0.33 Allowed 'General case' 0 C--O 1.243 0.759 0 O-C-N 121.956 -0.732 . . . . 0.0 111.137 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 mt -125.33 42.42 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.279 1.037 . . . . 0.0 111.537 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -75.17 0.12 17.41 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.33 177.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 122.294 1.045 . . . . 0.0 110.519 176.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.428 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 mm-40 -71.95 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.599 0.714 . . . . 0.0 109.797 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.705 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -120.78 103.41 0.91 Allowed Glycine 0 C--N 1.318 -0.466 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -174.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 9.5 m120 -138.29 104.53 5.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.427 1.108 . . . . 0.0 110.781 174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 2.8 mt -71.06 -13.12 61.87 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 13' ' ' ASN . 32.7 ttp-105 -44.44 -29.03 0.63 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.199 -0.938 . . . . 0.0 111.278 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 5.8 t -82.78 -36.92 25.24 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -170.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.528 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -80.95 -69.01 0.64 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.964 0.888 . . . . 0.0 109.642 -174.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HD2' ' CB ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -128.08 176.35 7.7 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 121.14 -0.975 . . . . 0.0 111.05 -176.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.554 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 175.77 145.27 0.07 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 125.191 2.424 . . . . 0.0 115.368 -165.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 p -92.59 161.32 14.64 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.596 174.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE1' HG23 ' A' ' 38' ' ' THR . 42.3 t80 -59.54 -39.91 85.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.979 0.895 . . . . 0.0 110.35 172.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.47 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.18 72.17 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 122.028 0.918 . . . . 0.0 110.836 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.34 15.64 0.05 Allowed 'General case' 0 C--O 1.252 1.207 0 N-CA-C 115.473 1.656 . . . . 0.0 115.473 -176.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . 0.541 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.705 HG13 ' HA3' ' A' ' 12' ' ' GLY . 55.2 t -73.84 -63.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 124.658 2.171 . . . . 0.0 108.879 172.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -49.82 -60.35 2.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 124.633 2.158 . . . . 0.0 109.27 174.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -84.16 82.88 8.17 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 120.137 1.335 . . . . 0.0 109.467 173.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.747 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -54.18 -24.68 19.06 Favored 'General case' 0 C--O 1.251 1.134 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -170.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 25.7 mmt180 -50.03 -29.93 9.71 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.544 174.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.953 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -89.51 -24.22 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.572 -170.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.6 m -75.33 -37.06 60.94 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.8 -31.29 16.56 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 113.861 -1.518 . . . . 0.0 110.142 169.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 7.0 t-105 -76.2 -27.54 56.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.705 1.24 . . . . 0.0 110.558 -172.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -83.07 13.36 4.11 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -133.2 14.91 4.19 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 122.049 0.928 . . . . 0.0 110.579 169.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 3.2 t80 -137.93 -9.28 1.57 Allowed 'General case' 0 C--O 1.248 1.003 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -173.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.78 -142.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 O-C-N 120.652 -1.28 . . . . 0.0 110.132 -170.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' N ' HG13 ' A' ' 46' ' ' VAL . 4.9 t70 . . . . . 0 C--O 1.27 2.173 0 CA-C-O 122.058 0.932 . . . . 0.0 110.883 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 16.9 t80 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 122.116 0.96 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.496 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.6 t-20 -91.29 83.12 5.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.417 1.103 . . . . 0.0 110.975 -175.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -84.66 3.88 35.05 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.909 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.47 33.96 8.97 Favored Glycine 0 C--N 1.318 -0.417 0 O-C-N 121.444 -0.785 . . . . 0.0 111.736 -174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -89.57 -87.73 0.17 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.925 -0.75 . . . . 0.0 110.931 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.9 mt -138.49 39.15 2.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.483 1.135 . . . . 0.0 110.862 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.538 ' HG ' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.538 ' N ' ' HG ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -83.91 -13.64 53.01 Favored 'General case' 0 C--O 1.247 0.934 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.58 173.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 122.353 1.073 . . . . 0.0 110.686 -174.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.6 mt-30 -77.79 16.92 0.61 Allowed 'General case' 0 C--O 1.248 0.998 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -173.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.915 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 86.56 123.01 1.5 Allowed Glycine 0 N--CA 1.464 0.515 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -157.49 95.62 1.47 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.893 0.854 . . . . 0.0 111.265 174.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.25 -19.9 66.18 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.533 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -52.58 -31.74 37.7 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 0.0 111.321 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 8.6 t -74.55 -34.58 62.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.582 -0.699 . . . . 0.0 112.405 -173.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 31.3 mmt -90.3 -21.76 21.9 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.45 -0.781 . . . . 0.0 111.507 -173.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 6.3 ttmt -131.46 167.6 19.06 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.116 -0.99 . . . . 0.0 111.369 -173.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.531 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 176.92 137.95 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 124.387 2.042 . . . . 0.0 115.594 -169.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p -94.48 165.43 12.55 Favored 'General case' 0 C--O 1.241 0.654 0 O-C-N 120.708 -1.245 . . . . 0.0 110.201 171.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.0 t80 -60.61 -30.7 70.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.851 0.834 . . . . 0.0 110.501 171.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.21 71.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.116 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 38' ' ' THR . 7.3 ttp180 -72.14 23.66 0.05 Allowed 'General case' 0 C--O 1.256 1.428 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.915 HG13 ' HA3' ' A' ' 12' ' ' GLY . 85.8 t -69.01 -27.12 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 124.663 2.173 . . . . 0.0 110.07 170.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.17 -55.91 2.25 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 125.085 2.374 . . . . 0.0 108.3 -170.33 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -84.16 83.12 8.07 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 120.558 -1.339 . . . . 0.0 109.108 173.306 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.745 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -54.24 -19.71 5.71 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -170.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 17.6 mmm180 -49.89 -30.15 9.54 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.436 173.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.904 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.0 t -91.6 -24.91 19.42 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.893 -169.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.2 m -73.62 -34.11 64.86 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.3 -30.61 28.99 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-N 113.883 -1.508 . . . . 0.0 110.29 170.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 45' ' ' TYR . 5.8 t-105 -75.74 -29.68 58.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.755 1.264 . . . . 0.0 110.335 -173.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 7.13 5.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.42 1.105 . . . . 0.0 113.365 -174.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.86 -29.34 6.05 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.062 0.934 . . . . 0.0 111.324 170.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 28.6 t80 -92.19 -14.52 28.92 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 47' ' ' ASP . 4.4 p -87.09 -147.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 O-C-N 121.454 -0.779 . . . . 0.0 109.847 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 46' ' ' VAL . 33.5 t70 . . . . . 0 C--O 1.27 2.172 0 CA-C-O 121.868 0.842 . . . . 0.0 110.88 -173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.72 0.771 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -111.69 47.13 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.327 1.061 . . . . 0.0 111.144 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.69 -30.49 59.37 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.515 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.32 33.81 6.09 Favored Glycine 0 C--O 1.243 0.66 0 N-CA-C 116.033 1.173 . . . . 0.0 116.033 173.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.45 -89.65 0.3 Allowed 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.487 -1.008 . . . . 0.0 111.243 173.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -133.24 60.8 1.69 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.558 1.17 . . . . 0.0 111.054 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.477 ' CD1' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.477 ' N ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -65.09 -11.02 35.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.648 0.737 . . . . 0.0 112.073 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -80.05 177.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 122.475 1.131 . . . . 0.0 110.282 174.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' H ' HG12 ' A' ' 10' ' ' VAL . 19.0 mt-30 -70.46 -165.34 0.1 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 123.331 1.539 . . . . 0.0 109.857 -172.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -106.53 95.32 1.02 Allowed Glycine 0 C--N 1.319 -0.404 0 CA-C-O 122.878 1.266 . . . . 0.0 110.062 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -146.82 111.56 5.3 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.495 1.141 . . . . 0.0 110.325 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 41' ' ' PHE . 5.2 mt -74.59 -8.35 56.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -173.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.513 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -38.35 2.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.412 1.101 . . . . 0.0 111.264 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.558 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t -86.55 -32.59 20.61 Favored 'General case' 0 C--O 1.246 0.884 0 O-C-N 121.121 -0.987 . . . . 0.0 112.827 -169.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 8.4 mmt -92.3 -3.04 56.01 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.813 -0.554 . . . . 0.0 111.662 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 169.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.979 0.895 . . . . 0.0 113.09 174.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 172.12 142.88 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 124.533 2.111 . . . . 0.0 115.005 -166.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -92.79 155.81 17.42 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.524 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.1 t80 -49.5 -44.56 46.25 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.307 1.051 . . . . 0.0 110.506 172.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.16 82.17 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.993 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -79.6 29.83 0.24 Allowed 'General case' 0 C--O 1.247 0.968 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . 0.451 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.521 HG13 ' HA3' ' A' ' 12' ' ' GLY . 24.5 t -65.73 -30.8 51.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 124.837 2.256 . . . . 0.0 109.615 171.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.8 OUTLIER -97.66 -55.72 2.73 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 124.848 2.261 . . . . 0.0 108.154 -171.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.518 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -84.63 76.04 10.23 Favored 'General case' 0 C--N 1.314 -0.973 0 O-C-N 120.702 -1.249 . . . . 0.0 108.769 171.392 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.588 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t -52.45 -17.85 1.4 Allowed 'General case' 0 C--O 1.255 1.35 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -170.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HB2' ' HB3' ' A' ' 34' ' ' ASN . 9.1 mmt180 -49.26 -30.34 7.09 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.07 173.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.1 t -87.25 -24.96 24.21 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.745 -172.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.4 m -70.1 -41.76 73.62 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . 0.543 ' C ' ' HG3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -68.44 -32.95 73.34 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 113.614 -1.63 . . . . 0.0 109.383 168.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.659 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 7.2 t-105 -78.24 -30.11 48.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.125 0.964 . . . . 0.0 111.314 -174.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' HG3' ' C ' ' A' ' 40' ' ' CGU . 0.0 OUTLIER -75.27 -7.71 54.65 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 123.792 1.758 . . . . 0.0 112.385 -171.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -103.72 -28.08 11.88 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.486 170.248 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.659 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.5 t80 -91.19 -4.09 56.41 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.6 p -120.03 -142.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 O-C-N 121.028 -1.045 . . . . 0.0 109.529 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 46' ' ' VAL . 39.4 t0 . . . . . 0 C--O 1.271 2.227 0 O-C-N 121.196 -0.94 . . . . 0.0 111.203 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.683 0.754 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -89.12 85.93 6.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.489 1.138 . . . . 0.0 112.445 -173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -86.81 -29.05 22.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.966 0.889 . . . . 0.0 110.5 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.56 29.17 24.99 Favored Glycine 0 C--O 1.243 0.66 0 O-C-N 121.807 -0.558 . . . . 0.0 113.378 174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -115.72 -93.35 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.662 -0.905 . . . . 0.0 112.698 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -82.15 -21.33 36.63 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.177 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 1.1 m-30 -90.26 16.27 8.93 Favored 'General case' 0 C--O 1.245 0.837 0 O-C-N 121.545 -0.722 . . . . 0.0 112.678 174.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -116.23 173.5 3.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.319 1.057 . . . . 0.0 110.828 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 2.8 mt-30 -72.95 -140.45 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.954 0.883 . . . . 0.0 110.209 -174.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -123.6 101.68 0.71 Allowed Glycine 0 C--N 1.319 -0.398 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -145.79 109.54 4.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.235 1.017 . . . . 0.0 111.243 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.33 -12.96 60.38 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -50.53 -20.55 1.19 Allowed 'General case' 0 C--O 1.243 0.719 0 O-C-N 121.183 -0.948 . . . . 0.0 112.28 -175.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.423 ' CD1' ' HG2' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.2 t -81.02 -35.71 31.54 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 121.448 -0.782 . . . . 0.0 112.386 -170.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.488 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 32.1 mmt -82.0 -72.7 0.42 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.606 1.193 . . . . 0.0 109.328 -174.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.53 171.78 7.72 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.303 -0.873 . . . . 0.0 112.162 -172.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 172.83 136.72 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 123.858 1.789 . . . . 0.0 115.044 -169.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.9 p -93.6 165.74 12.58 Favored 'General case' 0 C--O 1.243 0.732 0 O-C-N 121.1 -1.0 . . . . 0.0 110.084 171.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.862 ' CE1' HG23 ' A' ' 38' ' ' THR . 69.8 t80 -61.84 -29.11 69.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.163 0.982 . . . . 0.0 110.019 171.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.58 -34.15 68.91 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.531 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -80.08 54.02 1.84 Allowed 'General case' 0 C--O 1.254 1.337 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 174.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . 0.491 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG22 ' HA2' ' A' ' 12' ' ' GLY . 11.4 t -67.72 -32.9 58.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 124.683 2.182 . . . . 0.0 109.441 170.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 125.714 2.673 . . . . 0.0 108.527 -171.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -83.75 78.87 9.63 Favored 'General case' 0 C--N 1.315 -0.915 0 O-C-N 120.57 -1.331 . . . . 0.0 109.425 173.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.746 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -54.99 -15.35 1.97 Allowed 'General case' 0 C--O 1.255 1.359 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -170.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -51.76 -33.63 35.91 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.716 173.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.862 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -85.83 -26.64 25.59 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.2 m -71.69 -36.92 70.75 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 173.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -32.35 21.87 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 113.976 -1.465 . . . . 0.0 110.388 169.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.617 ' CH2' ' CE2' ' A' ' 45' ' ' TYR . 9.8 t-105 -76.65 -21.26 55.7 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.114 0.959 . . . . 0.0 111.065 -172.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.43 11.52 4.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 174.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -136.79 32.04 2.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 122.652 1.215 . . . . 0.0 109.76 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 73.6 t80 -145.41 -44.78 0.22 Allowed 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.879 -173.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -7.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -174.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.586 ' OXT' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.271 2.185 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.324 173.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.47 ' HB2' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 121.358 0.599 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.49 ' HB2' ' CD1' ' A' ' 27' ' ' CGU . 7.4 t-20 70.16 90.14 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 122.216 1.008 . . . . 0.0 112.237 170.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -87.13 -29.72 21.6 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.337 0.589 . . . . 0.0 111.245 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.12 42.91 2.7 Favored Glycine 0 C--O 1.243 0.708 0 O-C-N 121.543 -0.723 . . . . 0.0 113.705 174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 -79.69 0.34 Allowed 'General case' 0 C--O 1.244 0.766 0 O-C-N 121.766 -0.843 . . . . 0.0 111.064 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.85 28.75 0.93 Allowed 'General case' 0 C--N 1.318 -0.773 0 O-C-N 121.579 -0.701 . . . . 0.0 112.034 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -94.25 32.71 1.48 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.501 0.667 . . . . 0.0 112.07 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 7' ' ' CGU . 2.5 t -109.76 174.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.247 1.022 . . . . 0.0 110.49 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -77.2 19.7 0.31 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -173.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.746 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 68.94 109.28 0.02 OUTLIER Glycine 0 C--N 1.317 -0.493 0 CA-C-O 122.489 1.05 . . . . 0.0 111.177 174.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -146.2 104.59 3.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.422 1.106 . . . . 0.0 110.496 174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' CYS . 38.5 mt -60.39 -47.98 83.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.289 -173.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -57.08 -34.27 68.12 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.285 -0.884 . . . . 0.0 111.222 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.6 t -170.6 -38.88 0.02 OUTLIER 'General case' 0 C--O 1.246 0.896 0 O-C-N 121.865 -0.522 . . . . 0.0 111.771 173.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.481 ' HE2' ' C ' ' A' ' 18' ' ' CYS . 33.4 mmt -88.06 -68.57 0.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.872 1.32 . . . . 0.0 109.228 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -102.84 171.46 7.39 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.461 -1.399 . . . . 0.0 111.35 -170.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 173.53 142.86 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 124.462 2.077 . . . . 0.0 114.216 -166.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.485 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 19.7 p -91.84 164.47 13.67 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.33 173.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 38' ' ' THR . 40.4 t80 -66.88 -32.01 73.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.786 0.803 . . . . 0.0 110.225 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.49 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -91.13 -8.95 47.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.902 177.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.58 4.6 27.52 Favored 'General case' 0 C--O 1.25 1.111 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' HA2' ' A' ' 12' ' ' GLY . 17.8 t -61.3 -27.88 42.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 124.859 2.266 . . . . 0.0 109.2 170.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -100.36 -51.42 3.64 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 126.474 3.035 . . . . 0.0 108.7 -170.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -84.73 73.68 10.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 120.49 -1.381 . . . . 0.0 109.209 170.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.725 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -53.43 -17.26 1.82 Allowed 'General case' 0 C--O 1.254 1.305 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -170.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 14.7 mmt180 -50.33 -28.91 8.76 Favored 'General case' 0 C--O 1.247 0.942 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.419 173.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.02 -26.17 22.73 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.096 -172.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -74.18 -39.46 63.17 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -51.24 -32.29 23.66 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 113.826 -1.533 . . . . 0.0 109.855 168.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 15.9 t-105 -76.21 -22.68 54.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 123.602 1.667 . . . . 0.0 110.352 -174.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.4 13.23 0.99 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 173.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -131.69 4.5 4.24 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.411 0.684 . . . . 0.0 112.141 171.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CD2' ' CZ3' ' A' ' 42' ' ' TRP . 40.3 t80 -119.08 -34.9 3.75 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 121.383 -0.823 . . . . 0.0 112.331 -174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -77.39 1.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.475 1.131 . . . . 0.0 113.613 -175.137 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.272 2.259 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.87 174.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 121.794 0.807 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -85.0 88.91 7.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.459 1.123 . . . . 0.0 111.739 -174.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -86.97 -28.12 22.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.609 0.718 . . . . 0.0 111.223 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.58 36.7 42.66 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 121.795 0.664 . . . . 0.0 111.607 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -96.32 -88.08 0.29 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.004 -0.704 . . . . 0.0 111.077 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.27 36.87 2.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.25 1.024 . . . . 0.0 110.848 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 11' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -80.37 -35.08 35.9 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.32 1.057 . . . . 0.0 110.691 174.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.82 -7.23 10.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 123.545 1.641 . . . . 0.0 113.96 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' HB3' ' HA ' ' A' ' 8' ' ' CGU . 0.0 OUTLIER -37.86 135.4 0.65 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 123.768 1.747 . . . . 0.0 111.485 175.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.656 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 125.95 17.23 2.55 Favored Glycine 0 C--O 1.238 0.398 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.943 173.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -129.65 101.31 5.86 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.308 1.051 . . . . 0.0 110.86 174.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.98 -33.08 70.27 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.727 0.775 . . . . 0.0 111.683 -177.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.593 ' HA ' ' CB ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -45.0 19.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.934 0.873 . . . . 0.0 112.546 -174.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.445 ' N ' ' CD1' ' A' ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t -85.75 -22.43 27.74 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -171.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.593 ' CB ' ' HA ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -103.48 -27.67 12.25 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.783 0.801 . . . . 0.0 112.088 -170.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.8 170.95 11.08 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.285 1.04 . . . . 0.0 112.619 -173.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 174.49 134.75 0.04 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 123.481 1.61 . . . . 0.0 114.197 -170.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.7 p -93.05 164.57 13.22 Favored 'General case' 0 C--O 1.249 1.035 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.358 170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.842 ' CE2' HG23 ' A' ' 38' ' ' THR . 40.6 t80 -72.47 127.16 31.72 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 170.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . 0.514 ' HG ' ' HN2' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.514 ' HN2' ' HG ' ' A' ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.494 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . -50.69 -43.37 57.63 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.26 170.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 26' ' ' CGU . 1.9 ttt180 -72.44 27.57 0.05 Allowed 'General case' 0 C--O 1.258 1.55 0 N-CA-C 116.477 2.029 . . . . 0.0 116.477 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.656 HG22 ' HA2' ' A' ' 12' ' ' GLY . 14.6 t -66.26 -29.71 47.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 124.776 2.226 . . . . 0.0 109.662 170.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 38' ' ' THR . 0.7 OUTLIER -104.78 -54.69 2.46 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 125.234 2.445 . . . . 0.0 108.734 -170.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.529 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.6 t-20 -83.95 85.72 7.28 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 120.802 -1.186 . . . . 0.0 109.579 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.75 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -54.6 -26.11 30.61 Favored 'General case' 0 C--O 1.251 1.141 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 -170.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.543 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 8.0 mmm180 -55.0 -31.46 61.04 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.842 173.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.842 HG23 ' CE2' ' A' ' 25' ' ' PHE . 2.9 t -89.76 -20.77 23.15 Favored 'General case' 0 CA--C 1.511 -0.519 0 C-N-CA 120.325 -0.55 . . . . 0.0 112.436 -169.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 5.3 m -74.7 -27.5 60.42 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.156 0.503 . . . . 0.0 112.068 173.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.473 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.4 OUTLIER -50.8 -33.28 22.83 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.44 168.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.579 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 19.8 t-105 -77.35 -22.43 51.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.536 1.636 . . . . 0.0 110.638 -173.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.62 8.29 3.05 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -133.04 32.6 3.74 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 123.469 1.604 . . . . 0.0 108.506 170.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE2' ' SG ' ' A' ' 18' ' ' CYS . 86.9 t80 -179.67 71.71 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.398 -172.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.2 p -148.54 -150.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 O-C-N 121.523 -0.736 . . . . 0.0 109.874 174.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' N ' HG13 ' A' ' 46' ' ' VAL . 7.8 t0 . . . . . 0 C--O 1.269 2.124 0 CA-C-O 122.038 0.923 . . . . 0.0 111.396 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.6 t80 . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.345 1.069 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -103.85 76.33 1.36 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.708 1.242 . . . . 0.0 110.315 -174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -75.43 -34.19 60.97 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.391 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 95.38 70.41 1.07 Allowed Glycine 0 CA--C 1.508 -0.346 0 CA-C-O 122.15 0.861 . . . . 0.0 112.283 -176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -130.28 -89.6 0.48 Allowed 'General case' 0 C--O 1.241 0.649 0 O-C-N 121.818 -0.813 . . . . 0.0 111.084 174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mt -118.77 -7.16 10.54 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.601 -0.687 . . . . 0.0 112.827 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.493 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -104.36 -28.3 11.45 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 123.041 1.401 . . . . 0.0 110.42 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.4 t -94.09 -2.66 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HG3' ' C ' ' A' ' 8' ' ' CGU . 0.0 OUTLIER -70.09 15.81 0.08 Allowed 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.479 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . -99.11 65.86 0.67 Allowed Glycine 0 C--N 1.318 -0.465 0 CA-C-O 122.831 1.239 . . . . 0.0 111.717 173.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -161.8 116.19 1.93 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.809 -0.696 . . . . 0.0 110.445 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.97 -52.94 9.89 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.59 0.71 . . . . 0.0 112.641 -173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 ttm105 -73.08 -42.05 63.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.115 0.96 . . . . 0.0 111.617 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 11' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' SG ' ' CE2' ' A' ' 45' ' ' TYR . 11.7 t -139.34 -34.59 0.57 Allowed 'General case' 0 C--O 1.256 1.437 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -172.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 0.3 OUTLIER -87.46 -34.62 18.63 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 120.235 -1.54 . . . . 0.0 110.336 -176.781 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -38.88 154.64 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 124.174 1.94 . . . . 0.0 114.839 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -171.67 142.46 1.58 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.843 1.782 . . . . 0.0 113.45 -166.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 p -92.22 160.3 15.23 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.114 173.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.7 t80 -62.01 -29.0 69.97 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.974 0.892 . . . . 0.0 110.086 171.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.32 -44.79 67.53 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 121.669 -0.644 . . . . 0.0 111.123 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -76.06 20.41 0.2 Allowed 'General case' 0 C--O 1.248 0.99 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -173.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 3.1 t -79.88 -60.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 124.833 2.254 . . . . 0.0 108.704 172.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -48.35 -55.2 11.34 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 125.036 2.35 . . . . 0.0 108.609 172.144 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 12.3 t-20 -83.9 86.26 7.2 Favored 'General case' 0 C--N 1.315 -0.929 0 O-C-N 120.577 -1.327 . . . . 0.0 109.282 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 38' ' ' THR . 2.9 t -56.03 -22.2 25.97 Favored 'General case' 0 C--O 1.252 1.226 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -52.97 -30.73 36.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.314 173.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.546 ' HA ' ' CE2' ' A' ' 32' ' ' PHE . 3.2 t -85.85 -28.65 24.29 Favored 'General case' 0 CA--C 1.513 -0.478 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.169 -172.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 m -67.08 -43.57 82.26 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -51.59 -32.07 27.25 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.288 168.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.558 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.5 t-105 -76.74 -25.27 53.3 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.891 1.805 . . . . 0.0 110.009 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -80.89 11.79 3.72 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.008 -1.057 . . . . 0.0 113.501 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.3 27.29 3.79 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 122.276 1.036 . . . . 0.0 110.193 171.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.491 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 32.2 t80 -155.43 14.54 0.37 Allowed 'General case' 0 C--O 1.246 0.886 0 CA-C-O 122.204 1.002 . . . . 0.0 112.417 -173.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 47' ' ' ASP . 2.6 p -121.3 -150.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.778 0 O-C-N 120.6 -1.312 . . . . 0.0 109.612 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 46' ' ' VAL . 23.1 m-20 . . . . . 0 C--O 1.27 2.161 0 CA-C-O 122.057 0.932 . . . . 0.0 111.085 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-O 121.7 0.762 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -128.76 67.04 1.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.488 1.137 . . . . 0.0 110.641 -173.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -59.25 -25.97 64.51 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.363 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.0 40.93 93.44 Favored Glycine 0 C--N 1.319 -0.395 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.638 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.37 -82.5 0.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 O-C-N 122.029 -0.689 . . . . 0.0 111.065 175.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 5' ' ' LYS . 1.2 pt? -145.89 19.72 1.45 Allowed 'General case' 0 C--O 1.243 0.758 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -91.02 18.39 6.79 Favored 'General case' 0 C--O 1.247 0.94 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 7' ' ' CGU . 2.4 t -111.7 168.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 123.383 1.563 . . . . 0.0 111.444 -174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' O ' ' C ' ' A' ' 12' ' ' GLY . 56.3 mt-30 -77.11 93.95 3.97 Favored 'General case' 0 CA--C 1.512 -0.489 0 C-N-CA 124.191 0.996 . . . . 0.0 113.035 -172.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -1.53 98.19 0.01 OUTLIER Glycine 0 C--N 1.316 -0.54 0 C-N-CA 125.476 1.512 . . . . 0.0 113.175 169.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -153.19 117.16 4.8 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.272 1.034 . . . . 0.0 109.95 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' HE2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -82.27 3.13 28.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.706 -173.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -47.08 -27.7 1.46 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.045 0.926 . . . . 0.0 111.599 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 7.1 t -100.35 -25.59 14.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 120.821 -1.174 . . . . 0.0 112.62 -170.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 4.3 mmt -97.28 1.95 50.19 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 121.779 -0.576 . . . . 0.0 112.477 174.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.472 ' CG ' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER 47.54 -179.46 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.631 1.172 . . . . 0.0 112.733 -177.166 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.569 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 171.48 145.79 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 124.868 2.27 . . . . 0.0 114.347 -166.109 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -92.67 156.16 17.25 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 114.117 -1.402 . . . . 0.0 110.172 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 1.3 t80 -51.92 -38.19 55.4 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.029 0.919 . . . . 0.0 110.685 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.456 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.97 66.93 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.831 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -71.93 25.66 0.05 OUTLIER 'General case' 0 C--O 1.257 1.45 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG22 ' HA2' ' A' ' 12' ' ' GLY . 49.9 t -67.86 -28.91 43.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 124.752 2.215 . . . . 0.0 109.931 171.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -101.32 -56.84 2.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 125.25 2.452 . . . . 0.0 108.064 -171.11 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -84.53 78.23 9.87 Favored 'General case' 0 C--O 1.247 0.926 0 O-C-N 120.595 -1.315 . . . . 0.0 109.044 172.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.757 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.3 t -53.9 -15.61 1.43 Allowed 'General case' 0 C--O 1.255 1.35 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 15.1 mmt85 -50.73 -31.43 16.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.975 172.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.757 HG22 ' HA ' ' A' ' 35' ' ' THR . 3.3 t -88.4 -25.14 22.84 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.381 -171.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.0 m -69.33 -43.34 73.9 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -51.64 -33.71 34.64 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 113.903 -1.499 . . . . 0.0 110.134 170.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.793 ' O ' HG12 ' A' ' 46' ' ' VAL . 5.2 t-105 -76.77 -26.58 54.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.349 1.071 . . . . 0.0 111.131 -173.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -16.73 63.28 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.503 1.62 . . . . 0.0 113.397 -174.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -114.12 34.93 4.38 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 113.478 -1.692 . . . . 0.0 111.38 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.67 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 10.2 t80 -148.99 -70.28 0.21 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.097 0.951 . . . . 0.0 110.71 -174.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.2 OUTLIER 13.67 123.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 C-N-CA 129.068 2.947 . . . . 0.0 117.038 171.674 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.27 2.17 0 O-C-N 120.446 -1.409 . . . . 0.0 110.964 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 43.5 p90 . . . . . 0 C--O 1.242 0.689 0 CA-C-O 121.638 0.733 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 9.0 t-20 -173.24 77.69 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.968 0.89 . . . . 0.0 111.677 175.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -87.38 -31.39 20.13 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.679 0.752 . . . . 0.0 110.917 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.03 29.65 40.97 Favored Glycine 0 C--O 1.241 0.551 0 CA-C-O 121.667 0.593 . . . . 0.0 113.013 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -96.07 -88.42 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.665 -0.903 . . . . 0.0 110.921 174.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.57 46.12 1.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.776 1.274 . . . . 0.0 110.935 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.59 ' C ' HG23 ' A' ' 10' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -86.5 11.76 11.89 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG23 ' C ' ' A' ' 7' ' ' CGU . 2.6 t -81.26 -177.37 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-O 122.072 0.939 . . . . 0.0 110.234 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -76.23 14.2 0.78 Allowed 'General case' 0 C--O 1.241 0.637 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -173.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.607 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 59.68 97.78 0.01 OUTLIER Glycine 0 C--N 1.317 -0.498 0 CA-C-O 122.534 1.074 . . . . 0.0 110.752 -174.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -150.8 95.24 2.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.026 0.917 . . . . 0.0 110.704 -173.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -58.29 -42.94 87.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.74 0.781 . . . . 0.0 110.805 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.58 ' C ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -72.61 0.4 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.742 0.782 . . . . 0.0 113.008 175.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.581 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 9.6 t -69.54 -27.65 65.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.926 1.346 . . . . 0.0 112.359 -173.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.58 ' HB2' ' C ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -85.55 -68.18 0.75 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 123.468 1.604 . . . . 0.0 110.883 -172.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.93 176.94 5.41 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.664 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.581 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 171.52 135.54 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 124.133 1.92 . . . . 0.0 115.057 -170.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.9 p -94.28 153.61 17.94 Favored 'General case' 0 C--O 1.261 1.666 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.601 166.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.997 ' CE1' HG23 ' A' ' 38' ' ' THR . 70.1 t80 -51.27 163.61 0.23 Allowed 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 123.968 1.842 . . . . 0.0 107.145 168.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . 0.489 ' HG ' ' C ' ' A' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.565 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . -72.67 -49.02 34.33 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.792 -1.549 . . . . 0.0 112.085 176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.549 ' HD3' ' HB ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -76.0 19.0 0.24 Allowed 'General case' 0 C--O 1.248 1.024 0 O-C-N 121.008 -1.058 . . . . 0.0 113.4 -172.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.607 HG22 ' HA2' ' A' ' 12' ' ' GLY . 8.8 t -79.06 -71.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 124.244 1.973 . . . . 0.0 108.347 171.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 37' ' ' ARG . 6.5 t80 -42.91 -45.63 5.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 126.403 3.001 . . . . 0.0 108.967 170.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -84.81 95.51 9.0 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 120.274 -1.516 . . . . 0.0 110.538 -177.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.759 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.5 t -64.08 -31.09 72.15 Favored 'General case' 0 C--O 1.25 1.121 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CE2' ' A' ' 32' ' ' PHE . 10.2 mmt85 -57.0 -37.4 71.62 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.539 0.685 . . . . 0.0 110.824 171.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.997 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.3 t -87.96 -17.17 31.87 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -166.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.3 m -71.17 -30.48 66.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.624 0.726 . . . . 0.0 110.584 171.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.1 OUTLIER -50.86 -32.58 20.8 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.176 169.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 11.4 t-105 -77.23 -23.79 51.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 123.102 1.43 . . . . 0.0 110.754 -171.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.23 14.95 2.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 122.171 0.986 . . . . 0.0 113.601 175.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -138.93 18.3 2.64 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.907 0.861 . . . . 0.0 110.632 170.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 11.9 t80 -138.26 -3.19 1.77 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.4 p -99.52 -140.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.868 0 O-C-N 120.922 -1.111 . . . . 0.0 109.611 -172.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.517 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.5 t0 . . . . . 0 C--O 1.271 2.205 0 CA-C-O 121.92 0.867 . . . . 0.0 111.055 175.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 22' ' ' LYS . 2.6 p90 . . . . . 0 CA--C 1.515 -0.391 0 CA-C-O 123.167 1.461 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.468 ' HB2' ' CD1' ' A' ' 27' ' ' CGU . 6.5 t-20 50.88 51.22 17.47 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.276 1.036 . . . . 0.0 111.891 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -66.95 -32.71 74.14 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.748 0.785 . . . . 0.0 112.202 -175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 91.77 47.33 3.45 Favored Glycine 0 C--N 1.319 -0.376 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -173.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 6' ' ' LEU . 5.7 ttpt -116.98 -91.56 0.54 Allowed 'General case' 0 C--O 1.244 0.787 0 O-C-N 122.0 -0.706 . . . . 0.0 111.007 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 5' ' ' LYS . 4.8 mt -111.56 -16.95 13.16 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 121.408 -0.808 . . . . 0.0 112.795 -175.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.48 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -93.01 30.3 1.64 Allowed 'General case' 0 C--O 1.243 0.711 0 O-C-N 121.565 -0.71 . . . . 0.0 112.194 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -129.15 172.16 15.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 122.308 1.052 . . . . 0.0 110.58 173.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' H ' HG12 ' A' ' 10' ' ' VAL . 26.5 mt-30 -72.89 -139.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.304 1.05 . . . . 0.0 110.34 -174.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.84 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . -111.08 97.86 0.99 Allowed Glycine 0 C--N 1.318 -0.432 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -132.29 99.14 4.59 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.252 1.025 . . . . 0.0 111.04 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.08 -19.15 61.86 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -174.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.526 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.441 ' HG2' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -80.69 -23.84 39.28 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.441 ' CD1' ' HG2' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.5 t -83.7 -35.54 24.39 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.482 -0.761 . . . . 0.0 112.504 -172.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.526 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 29.6 mmt -88.8 -33.64 17.35 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 121.069 -1.019 . . . . 0.0 111.089 -171.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HB3' ' CB ' ' A' ' 1' ' ' TYR . 5.1 ttpt -100.31 173.58 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 O-C-N 121.245 -0.91 . . . . 0.0 111.141 -174.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 169.49 141.06 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 123.847 1.785 . . . . 0.0 113.75 -167.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 10.3 p -93.21 165.14 12.96 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.095 173.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HG23 ' A' ' 38' ' ' THR . 55.9 t80 -67.4 -26.42 66.43 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.797 0.808 . . . . 0.0 110.643 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.42 77.77 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.316 0.579 . . . . 0.0 110.555 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD2' ' HA ' ' A' ' 33' ' ' CGU . 0.0 OUTLIER -75.4 32.79 0.11 Allowed 'General case' 0 C--O 1.253 1.28 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 176.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.84 HG13 ' HA3' ' A' ' 12' ' ' GLY . 5.2 t -69.08 -34.96 66.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 124.463 2.077 . . . . 0.0 109.702 169.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -96.44 -50.5 4.73 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 125.78 2.705 . . . . 0.0 107.782 -170.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . 0.48 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 8.7 t-20 -86.0 84.23 7.58 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.577 -1.327 . . . . 0.0 110.026 174.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.7 t -55.08 -12.82 0.97 Allowed 'General case' 0 C--O 1.256 1.427 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -48.73 -33.46 10.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.243 173.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -85.67 -28.75 24.5 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 118.76 -0.638 . . . . 0.0 112.286 -170.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -70.18 -40.88 74.39 Favored 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -50.65 -31.26 15.69 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.52 169.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 12.7 t-105 -76.31 -25.86 55.25 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.993 0.901 . . . . 0.0 110.613 -172.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.34 12.42 2.97 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -118.31 -37.79 3.29 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 122.403 1.097 . . . . 0.0 110.464 171.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.463 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 23.1 t80 -80.18 -23.89 40.7 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 47' ' ' ASP . 7.1 p -80.32 -136.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 O-C-N 121.423 -0.798 . . . . 0.0 108.974 -173.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.515 ' N ' HG13 ' A' ' 46' ' ' VAL . 11.3 t70 . . . . . 0 C--O 1.27 2.159 0 CA-C-O 121.98 0.895 . . . . 0.0 110.974 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CG ' ' N ' ' A' ' 2' ' ' ASN . 36.9 p90 . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.639 0.733 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.543 ' N ' ' CG ' ' A' ' 1' ' ' TYR . 8.8 t-20 -178.8 79.14 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 122.072 0.939 . . . . 0.0 111.085 -173.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.73 -33.87 18.56 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.78 0.8 . . . . 0.0 111.122 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.69 23.0 8.54 Favored Glycine 0 C--O 1.242 0.604 0 O-C-N 121.727 -0.608 . . . . 0.0 112.759 -174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.6 -72.53 0.22 Allowed 'General case' 0 C--O 1.245 0.817 0 O-C-N 121.633 -0.922 . . . . 0.0 110.895 -178.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -162.01 33.66 0.12 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.409 1.099 . . . . 0.0 110.631 179.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.492 ' CD2' ' HA ' ' A' ' 6' ' ' LEU . 24.2 m-85 -75.53 -4.82 42.04 Favored 'General case' 0 C--O 1.246 0.914 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG11 ' NH2' ' A' ' 16' ' ' ARG . 2.5 t -88.67 172.64 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 122.491 1.138 . . . . 0.0 110.932 -173.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -78.0 14.33 1.16 Allowed 'General case' 0 C--O 1.246 0.899 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 -173.15 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.587 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . 74.24 115.7 0.08 OUTLIER Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 -174.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -146.7 108.25 4.3 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.89 0.852 . . . . 0.0 110.685 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' CGU . 82.4 mt -59.57 -70.18 0.17 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.729 0.776 . . . . 0.0 111.847 -173.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.559 ' HA ' ' CB ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.491 ' NH2' HG11 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -50.12 -43.79 51.97 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.541 -0.724 . . . . 0.0 111.921 -178.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.544 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 6.2 t -58.66 -38.82 78.98 Favored 'General case' 0 C--O 1.247 0.948 0 O-C-N 120.665 -1.272 . . . . 0.0 113.243 -172.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.559 ' CB ' ' HA ' ' A' ' 15' ' ' CGU . 1.6 tpp -102.75 14.36 32.14 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 120.92 -1.113 . . . . 0.0 112.905 -170.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . 0.432 ' HG ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -117.86 178.02 4.56 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 121.077 -1.014 . . . . 0.0 110.356 178.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 178.07 143.48 0.11 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 125.77 2.7 . . . . 0.0 115.082 -166.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 89.0 p -92.79 154.25 18.39 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 113.896 -1.502 . . . . 0.0 109.914 172.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' HB2' ' CE2' ' A' ' 42' ' ' TRP . 5.4 t80 -52.37 -25.7 10.47 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.409 -0.807 . . . . 0.0 111.647 172.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.84 -53.26 59.92 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-O 122.778 1.275 . . . . 0.0 111.063 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -0.71 0.11 Allowed 'General case' 0 C--O 1.254 1.314 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -173.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.587 HG22 ' HA2' ' A' ' 12' ' ' GLY . 70.3 t -70.72 -62.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 124.289 1.995 . . . . 0.0 108.55 173.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -49.69 -49.53 47.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 125.296 2.474 . . . . 0.0 108.895 172.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -84.47 81.57 8.78 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 120.546 -1.347 . . . . 0.0 110.102 179.85 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.675 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -58.24 -9.91 1.73 Allowed 'General case' 0 C--O 1.255 1.379 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -172.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 12.0 mmm180 -49.14 -30.18 6.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.702 171.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 35' ' ' THR . 4.2 t -86.16 -30.85 22.15 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.215 -172.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.1 m -67.88 -43.03 80.3 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.1 OUTLIER -50.72 -29.93 12.58 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.273 169.528 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.652 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 4.7 t-105 -76.57 -29.56 56.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.236 1.493 . . . . 0.0 110.226 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 14.09 4.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 122.228 1.013 . . . . 0.0 113.613 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -134.84 17.81 3.53 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.443 1.116 . . . . 0.0 109.879 169.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.652 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 2.1 t80 -139.51 -16.83 1.02 Allowed 'General case' 0 C--O 1.252 1.212 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.9 p -81.82 -139.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 O-C-N 120.691 -1.255 . . . . 0.0 109.399 -172.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' VAL . 15.2 t0 . . . . . 0 C--O 1.27 2.168 0 CA-C-O 122.037 0.922 . . . . 0.0 111.005 175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.442 ' HB2' ' HE2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 121.953 0.883 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' HA ' ' CD2' ' A' ' 7' ' ' CGU . 6.8 t-20 -171.39 71.56 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.52 1.152 . . . . 0.0 110.732 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -55.2 -28.58 54.05 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.648 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 87.78 29.71 20.22 Favored Glycine 0 C--O 1.24 0.488 0 O-C-N 121.586 -0.696 . . . . 0.0 112.729 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mtmm -87.24 -85.8 0.16 Allowed 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.708 -0.878 . . . . 0.0 111.27 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -136.72 37.62 2.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.269 1.033 . . . . 0.0 111.139 -176.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.417 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.84 2.89 24.52 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -174.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -97.22 173.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.586 1.184 . . . . 0.0 110.972 -173.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.9 pt20 -78.08 19.89 0.4 Allowed 'General case' 0 C--O 1.25 1.086 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -173.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.576 ' HA3' HG13 ' A' ' 31' ' ' VAL . . . 81.23 106.68 0.33 Allowed Glycine 0 C--N 1.318 -0.442 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -174.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -146.07 106.33 4.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.153 0.978 . . . . 0.0 110.582 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 18' ' ' CYS . 5.3 mt -76.86 -16.97 59.26 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -44.6 -29.0 0.66 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.064 0.935 . . . . 0.0 111.937 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HB3' ' HE3' ' A' ' 19' ' ' MET . 6.4 t -78.0 -39.45 42.2 Favored 'General case' 0 C--O 1.259 1.58 0 O-C-N 121.287 -0.883 . . . . 0.0 113.373 -170.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.559 ' HE3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -80.74 -69.95 0.56 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 122.311 1.053 . . . . 0.0 109.431 -173.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 23' ' ' CYS . 0.6 OUTLIER -114.93 173.17 6.62 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.03 -1.044 . . . . 0.0 111.17 -173.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER 175.46 143.47 0.06 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.823 2.249 . . . . 0.0 115.85 -166.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 p -93.85 152.7 18.71 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.982 171.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.959 ' CE1' HG23 ' A' ' 38' ' ' THR . 54.5 t80 -49.47 -26.6 3.48 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.575 -0.703 . . . . 0.0 111.717 172.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . 0.711 ' HG ' ' HN2' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.711 ' HN2' ' HG ' ' A' ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' CB ' ' OG1' ' A' ' 38' ' ' THR . . . -54.55 -51.35 65.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.299 1.047 . . . . 0.0 110.928 177.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.6 ttp85 -63.37 7.53 0.1 Allowed 'General case' 0 C--O 1.252 1.215 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HA3' ' A' ' 12' ' ' GLY . 23.7 t -74.07 -68.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-O 124.092 1.901 . . . . 0.0 108.632 172.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -44.95 -52.27 8.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 125.351 2.5 . . . . 0.0 108.733 172.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 11.0 t-20 -83.65 82.54 8.27 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 120.556 -1.34 . . . . 0.0 109.572 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.752 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -55.81 -19.91 13.27 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -170.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -49.96 -31.02 11.52 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.991 173.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.959 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.4 t -88.53 -24.75 22.84 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 119.966 -0.693 . . . . 0.0 111.808 -171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -73.24 -40.24 64.83 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -33.59 24.43 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 113.984 -1.462 . . . . 0.0 110.408 168.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 9.6 t-105 -76.69 -29.83 56.46 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 122.224 1.011 . . . . 0.0 111.048 -171.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -68.54 -22.28 64.51 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 124.05 1.881 . . . . 0.0 112.72 -173.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 9.1 tt0 -94.0 -28.11 15.95 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.864 173.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 45.2 t80 -86.73 -11.0 52.4 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.5 p -95.93 -148.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.41 -0.806 . . . . 0.0 109.357 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' VAL . 5.7 t70 . . . . . 0 C--O 1.27 2.142 0 CA-C-O 122.106 0.955 . . . . 0.0 110.967 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.44 ' H1 ' ' HA ' ' A' ' 23' ' ' CYS . 6.0 t80 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 121.226 0.536 . . . . 0.0 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 49.86 59.25 4.65 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 122.283 1.039 . . . . 0.0 112.019 174.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -59.57 -32.55 70.47 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.649 0.738 . . . . 0.0 111.657 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 28.62 66.48 Favored Glycine 0 C--O 1.24 0.482 0 O-C-N 121.706 -0.621 . . . . 0.0 112.021 -174.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -105.73 0.17 Allowed 'General case' 0 C--O 1.25 1.128 0 O-C-N 121.81 -0.818 . . . . 0.0 110.499 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 31.14 6.28 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.048 -1.033 . . . . 0.0 111.313 -176.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.443 ' HG ' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.443 ' N ' ' HG ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -67.6 -24.89 65.53 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.726 0.774 . . . . 0.0 111.451 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -82.67 171.18 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 123.028 1.394 . . . . 0.0 110.937 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.0 OUTLIER -74.54 -156.68 0.05 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.929 1.347 . . . . 0.0 110.185 -172.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.834 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -98.0 95.86 1.7 Allowed Glycine 0 C--N 1.319 -0.393 0 CA-C-O 122.778 1.21 . . . . 0.0 110.603 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -145.93 103.14 3.73 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.37 0.605 . . . . 0.0 110.274 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -81.95 7.21 13.65 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.144 0.497 . . . . 0.0 111.798 -175.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -65.54 -47.29 76.37 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.495 1.141 . . . . 0.0 111.359 174.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.6 t -95.28 -35.53 11.77 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 121.309 -0.87 . . . . 0.0 111.524 -170.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.509 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 23.3 mmt -90.86 -27.17 18.98 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 121.695 -0.628 . . . . 0.0 111.139 -173.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . 0.416 ' HG ' ' O ' ' A' ' 15' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' HD2' ' HB2' ' A' ' 1' ' ' TYR . 16.2 ttmt -104.14 165.39 11.08 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 121.473 -0.767 . . . . 0.0 110.627 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -178.1 138.56 0.2 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 124.394 2.045 . . . . 0.0 115.916 -167.406 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.7 p -94.55 164.11 13.12 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 120.748 -1.22 . . . . 0.0 110.114 171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.986 ' CE1' HG23 ' A' ' 38' ' ' THR . 62.2 t80 -59.47 -26.52 65.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.455 -0.778 . . . . 0.0 110.778 171.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -55.57 -50.2 70.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.849 1.309 . . . . 0.0 109.963 173.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.53 7.44 0.11 Allowed 'General case' 0 C--O 1.25 1.108 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -175.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . 0.555 ' HG ' ' N ' ' A' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.834 HG13 ' CA ' ' A' ' 12' ' ' GLY . 43.0 t -71.04 -65.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 124.153 1.93 . . . . 0.0 108.78 173.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -46.36 -56.41 5.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 125.183 2.42 . . . . 0.0 108.879 173.031 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.8 t-20 -83.51 83.44 7.89 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 120.69 -1.256 . . . . 0.0 109.739 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.622 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.0 t -56.67 -24.61 50.05 Favored 'General case' 0 C--O 1.254 1.294 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -170.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 16.4 mmt180 -49.11 -30.97 7.26 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.146 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.986 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -87.28 -23.9 24.52 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 119.839 -0.744 . . . . 0.0 111.36 -171.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -73.57 -41.47 62.87 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.487 ' CZ ' ' CE ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -53.95 -31.4 50.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.442 169.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t-105 -76.15 -19.53 58.39 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.391 0.615 . . . . 0.0 112.097 -172.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -75.19 -21.67 58.55 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.483 1.611 . . . . 0.0 113.158 -174.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HB2' ' HE2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -101.44 17.16 23.42 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 113.307 -1.77 . . . . 0.0 112.122 174.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 33.7 t80 -138.15 -8.71 1.54 Allowed 'General case' 0 C--O 1.247 0.941 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -173.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.8 p -98.94 -149.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 120.977 -1.077 . . . . 0.0 109.989 -171.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 46' ' ' VAL . 6.4 m-20 . . . . . 0 C--O 1.271 2.203 0 CA-C-O 121.928 0.87 . . . . 0.0 110.986 -174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.826 0.822 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.88 60.75 1.26 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.409 1.1 . . . . 0.0 110.653 -174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -81.69 8.13 10.71 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' HA2' ' CD2' ' A' ' 8' ' ' CGU . . . 48.34 57.74 7.9 Favored Glycine 0 C--N 1.318 -0.431 0 O-C-N 121.407 -0.808 . . . . 0.0 112.247 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 3.0 mmpt? -113.05 -86.3 0.57 Allowed 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.005 -0.703 . . . . 0.0 110.999 174.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.51 20.67 2.92 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.418 ' CD2' ' HA2' ' A' ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -83.97 10.68 9.28 Favored 'General case' 0 C--O 1.246 0.881 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -102.65 173.24 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 122.21 1.005 . . . . 0.0 110.589 -175.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -72.91 -140.82 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.765 0.793 . . . . 0.0 110.108 -174.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.565 ' HA2' HG22 ' A' ' 31' ' ' VAL . . . -127.96 103.23 0.62 Allowed Glycine 0 C--N 1.317 -0.479 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -147.57 110.39 4.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.454 1.121 . . . . 0.0 110.725 -174.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.87 -3.52 48.3 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -174.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CG ' ' CD1' ' A' ' 17' ' ' CGU . 0.0 OUTLIER -51.57 -33.74 33.86 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.64 0.733 . . . . 0.0 110.46 178.072 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.425 ' CD1' ' CG ' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.593 ' HB3' ' HE2' ' A' ' 19' ' ' MET . 7.8 t -120.99 -31.13 4.24 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 120.08 1.309 . . . . 0.0 112.272 -173.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.593 ' HE2' ' HB3' ' A' ' 18' ' ' CYS . 16.7 mmt -85.87 -10.42 55.37 Favored 'General case' 0 C--O 1.246 0.899 0 O-C-N 121.99 -0.444 . . . . 0.0 111.852 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.84 168.95 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 176.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 174.41 144.13 0.05 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 124.575 2.131 . . . . 0.0 114.874 -165.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.2 p -92.94 154.69 18.03 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.227 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.982 ' CE1' HG23 ' A' ' 38' ' ' THR . 36.8 t80 -49.96 -34.63 21.42 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 121.459 -0.775 . . . . 0.0 111.655 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . 0.562 ' HG ' ' HN2' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.562 ' HN2' ' HG ' ' A' ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.29 73.42 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.455 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.08 6.95 0.2 Allowed 'General case' 0 C--O 1.251 1.142 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.565 HG22 ' HA2' ' A' ' 12' ' ' GLY . 20.4 t -76.94 -68.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 124.037 1.875 . . . . 0.0 108.512 172.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -44.13 -52.5 7.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 125.227 2.442 . . . . 0.0 108.908 172.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -84.63 80.49 9.23 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.389 -1.444 . . . . 0.0 110.245 176.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.716 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.1 t -57.2 -16.25 7.66 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -171.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 24.9 mmt180 -50.68 -29.61 11.61 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.018 171.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.982 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.8 t -86.47 -27.47 24.06 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.66 -0.816 . . . . 0.0 110.743 -172.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.0 m -73.63 -38.7 64.94 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.8 -32.89 21.36 Favored 'General case' 0 CA--C 1.513 -0.442 0 CA-C-N 113.827 -1.533 . . . . 0.0 109.488 168.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.675 ' CH2' ' CE1' ' A' ' 45' ' ' TYR . 6.9 t-105 -77.41 -25.46 50.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.813 1.768 . . . . 0.0 109.965 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -77.23 6.91 5.83 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.843 1.424 . . . . 0.0 114.843 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -132.56 22.97 4.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 122.254 1.026 . . . . 0.0 110.403 170.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.675 ' CE1' ' CH2' ' A' ' 42' ' ' TRP . 17.4 t80 -141.53 -2.66 1.21 Allowed 'General case' 0 C--O 1.247 0.925 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 47' ' ' ASP . 3.2 p -106.33 -147.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 120.804 -1.185 . . . . 0.0 109.737 -171.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.501 ' N ' HG13 ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.042 0.925 . . . . 0.0 110.934 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.478 ' CD2' ' HD2' ' A' ' 22' ' ' LYS . 6.0 p90 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 122.655 1.217 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 7' ' ' CGU . 9.7 t-20 52.76 43.04 31.86 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 173.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' OG ' ' CZ ' ' A' ' 1' ' ' TYR . 17.2 m -89.21 -38.53 14.19 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.037 -1.039 . . . . 0.0 111.15 170.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.91 -72.55 0.02 OUTLIER Glycine 0 CA--C 1.498 -1.009 1 N-CA-C 127.066 5.586 . . . . 0.0 127.066 -172.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -68.23 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.249 1.051 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -165.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -88.16 32.23 0.77 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 119.995 -1.691 . . . . 0.0 113.631 -169.124 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 2' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.82 -6.92 48.16 Favored 'General case' 0 C--O 1.246 0.909 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.5 t -81.61 174.02 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 122.298 1.047 . . . . 0.0 110.727 -174.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' H ' HG12 ' A' ' 10' ' ' VAL . 30.5 pt20 -72.84 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.728 0.775 . . . . 0.0 109.975 -174.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.625 ' CA ' HG13 ' A' ' 31' ' ' VAL . . . -125.91 100.72 0.59 Allowed Glycine 0 C--N 1.318 -0.418 0 CA-C-O 122.276 0.931 . . . . 0.0 110.83 -175.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.52 103.6 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.319 1.057 . . . . 0.0 111.034 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' CE2' ' A' ' 41' ' ' PHE . 1.8 mt -69.98 -12.4 61.58 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 174.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.496 ' HA ' ' HB2' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.8 ttm105 -80.41 -38.55 30.04 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.813 0.816 . . . . 0.0 111.132 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.551 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 8.7 t -124.91 -33.55 2.91 Favored 'General case' 0 C--O 1.253 1.285 0 O-C-N 121.208 -0.933 . . . . 0.0 112.944 -172.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.496 ' HB2' ' HA ' ' A' ' 15' ' ' CGU . 0.0 OUTLIER -79.0 -79.13 0.14 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 123.26 1.505 . . . . 0.0 108.467 -176.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.478 ' HD2' ' CD2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -118.3 163.39 16.77 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 121.141 -0.975 . . . . 0.0 110.709 -173.386 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.551 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -176.11 139.87 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 124.349 2.023 . . . . 0.0 115.579 -166.282 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 p -93.56 159.48 15.21 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.797 170.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.913 ' CE1' HG23 ' A' ' 38' ' ' THR . 30.7 t80 -51.92 -47.28 64.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.323 1.059 . . . . 0.0 111.242 172.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.06 -37.04 76.1 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.779 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.18 33.53 0.34 Allowed 'General case' 0 C--O 1.25 1.113 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -176.605 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.625 HG13 ' CA ' ' A' ' 12' ' ' GLY . 88.3 t -67.94 -32.96 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 124.733 2.206 . . . . 0.0 109.3 170.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -94.31 -52.13 4.49 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 125.131 2.396 . . . . 0.0 107.548 -172.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -85.42 83.02 8.07 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 120.805 -1.184 . . . . 0.0 109.514 174.177 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.639 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t -54.13 -15.6 1.58 Allowed 'General case' 0 C--O 1.256 1.42 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -171.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -48.8 -34.57 12.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.402 173.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.913 HG23 ' CE1' ' A' ' 25' ' ' PHE . 2.9 t -84.88 -27.18 26.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.169 -170.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.5 m -70.13 -39.37 75.46 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 174.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.468 ' CE2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -52.55 -32.29 40.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.263 169.116 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.859 ' CE2' HG21 ' A' ' 46' ' ' VAL . 20.4 t-105 -77.06 -18.75 57.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.312 1.053 . . . . 0.0 110.978 -174.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.7 13.85 6.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.887 0.851 . . . . 0.0 113.294 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.11 26.05 5.49 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 123.269 1.509 . . . . 0.0 110.116 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 64.4 t80 -144.96 -59.96 0.36 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 123.854 1.788 . . . . 0.0 108.915 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 42' ' ' TRP . 6.4 t -86.51 -135.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 124.489 1.116 . . . . 0.0 108.774 169.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' H ' HG12 ' A' ' 46' ' ' VAL . 7.1 t0 . . . . . 0 C--O 1.27 2.133 0 CA-C-O 122.132 0.968 . . . . 0.0 110.941 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.9 t80 . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.685 0.755 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.05 88.34 5.64 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.318 1.056 . . . . 0.0 111.38 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -86.56 -6.3 58.92 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.29 41.13 8.27 Favored Glycine 0 C--O 1.239 0.416 0 O-C-N 121.304 -0.872 . . . . 0.0 112.134 -173.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' C ' HD23 ' A' ' 6' ' ' LEU . 8.7 mttt -113.54 -93.25 0.48 Allowed 'General case' 0 C--O 1.243 0.722 0 O-C-N 121.867 -0.784 . . . . 0.0 111.18 -174.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -118.39 2.06 11.84 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -174.036 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.484 ' HG ' ' N ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.484 ' N ' ' HG ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -69.39 -15.56 63.33 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-O 121.243 0.544 . . . . 0.0 112.426 -175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 11' ' ' GLN . 2.6 t -81.31 177.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 122.113 0.958 . . . . 0.0 110.576 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.438 ' H ' HG12 ' A' ' 10' ' ' VAL . 3.8 mm100 -72.22 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.585 0.707 . . . . 0.0 109.884 -176.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.611 ' HA2' HG12 ' A' ' 31' ' ' VAL . . . -107.23 97.53 1.19 Allowed Glycine 0 C--N 1.318 -0.42 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -136.21 88.22 2.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.253 1.025 . . . . 0.0 111.283 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.49 -13.02 60.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.55 ' HA ' ' CB ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 20' ' ' CGU . 0.0 OUTLIER -78.69 -6.77 56.67 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.185 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 16.7 t -110.76 -30.39 7.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 124.74 1.216 . . . . 0.0 112.88 -171.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.55 ' CB ' ' HA ' ' A' ' 15' ' ' CGU . 1.8 tpp -106.41 5.23 29.25 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 121.563 -0.71 . . . . 0.0 111.898 -170.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -144.4 167.62 22.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.773 0.797 . . . . 0.0 111.178 -174.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER 175.23 142.15 0.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 125.145 2.402 . . . . 0.0 114.999 -165.429 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.462 ' C ' ' CH2' ' A' ' 42' ' ' TRP . 5.6 p -93.52 161.97 14.15 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 120.548 -1.345 . . . . 0.0 110.754 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.818 ' CE1' HG23 ' A' ' 38' ' ' THR . 57.8 t80 -61.84 -27.79 69.03 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 121.512 -0.743 . . . . 0.0 111.575 172.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . 0.426 ' HG ' ' N ' ' A' ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . 0.469 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' OG1' ' A' ' 38' ' ' THR . . . -57.86 -40.57 80.46 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.168 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 12.65 0.12 Allowed 'General case' 0 C--O 1.25 1.098 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG12 ' HA2' ' A' ' 12' ' ' GLY . 2.9 t -64.85 -23.43 33.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 125.018 2.342 . . . . 0.0 110.129 171.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -112.65 -53.98 2.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 125.211 2.434 . . . . 0.0 109.037 -170.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.524 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 9.1 t-20 -84.41 80.08 9.34 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 120.695 -1.253 . . . . 0.0 109.768 173.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.732 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.2 t -56.68 -17.13 7.76 Favored 'General case' 0 C--O 1.255 1.364 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -170.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 55.2 mmt-85 -49.98 -31.3 12.3 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.906 173.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.818 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.2 t -88.62 -26.1 22.09 Favored 'General case' 0 C--O 1.241 0.632 0 C-N-CA 120.161 -0.616 . . . . 0.0 112.462 -171.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.9 m -69.86 -39.77 76.18 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 173.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.4 OUTLIER -53.98 -30.26 46.41 Favored 'General case' 0 C--O 1.241 0.656 0 CA-C-N 114.153 -1.385 . . . . 0.0 111.141 170.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 13.6 t-105 -74.74 -9.24 58.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.67 0.748 . . . . 0.0 112.618 -172.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -14.15 44.58 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 123.409 1.576 . . . . 0.0 113.338 -173.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -98.42 -33.77 10.91 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.601 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' CH2' ' A' ' 42' ' ' TRP . 28.2 t80 -82.33 -25.39 33.94 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -173.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.44 -146.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.631 -0.668 . . . . 0.0 109.264 -173.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.27 2.145 0 CA-C-O 122.037 0.922 . . . . 0.0 110.962 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 CA--C 1.51 -0.56 0 CA-C-O 121.421 0.629 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -100.85 70.99 1.42 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.307 1.051 . . . . 0.0 110.933 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -86.26 -28.56 23.71 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.146 -174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.95 29.88 7.81 Favored Glycine 0 C--O 1.24 0.518 0 O-C-N 121.54 -0.725 . . . . 0.0 112.92 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -72.19 -129.34 0.0 OUTLIER 'General case' 0 C--O 1.249 1.039 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 173.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.87 31.16 2.16 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.217 -0.927 . . . . 0.0 111.039 172.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.41 ' CD1' ' HG ' ' A' ' 8' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CGU . . . . . 0.41 ' HG ' ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -91.61 -32.25 15.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.845 1.307 . . . . 0.0 110.262 171.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.4 t -86.08 -7.56 10.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 122.607 1.194 . . . . 0.0 114.177 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB3' ' HA ' ' A' ' 8' ' ' CGU . 20.6 pt20 -36.49 96.88 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 123.014 1.388 . . . . 0.0 112.445 -176.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 31' ' ' VAL . . . 156.92 6.92 0.07 OUTLIER Glycine 0 C--O 1.248 1.022 0 N-CA-C 117.115 1.606 . . . . 0.0 117.115 171.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -115.87 90.13 3.27 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 120.712 -1.463 . . . . 0.0 109.508 169.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -81.83 19.38 1.1 Allowed 'General case' 0 C--O 1.243 0.718 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -172.104 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CGU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 19' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -89.95 -33.34 16.44 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.779 0.8 . . . . 0.0 110.774 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CGU . . . . . 0.42 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 23' ' ' CYS . 11.9 t -169.42 -32.38 0.02 OUTLIER 'General case' 0 C--O 1.256 1.445 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 170.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.668 ' HE1' ' CZ ' ' A' ' 41' ' ' PHE . 33.6 mmt -83.89 -46.26 12.32 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.818 1.294 . . . . 0.0 110.346 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.98 163.79 0.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 169.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER 164.41 142.54 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 123.952 1.834 . . . . 0.0 114.198 -167.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 p -92.85 155.42 17.63 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.624 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.872 ' CE1' HG23 ' A' ' 38' ' ' THR . 68.3 t80 -55.46 -27.74 50.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.949 0.881 . . . . 0.0 110.474 172.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.66 83.02 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.352 0.596 . . . . 0.0 110.588 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' HG3' ' HB ' ' A' ' 35' ' ' THR . 25.8 ttt180 -72.15 21.99 0.06 Allowed 'General case' 0 C--O 1.254 1.317 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' HA2' ' A' ' 12' ' ' GLY . 4.4 t -71.22 -27.75 30.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 124.785 2.231 . . . . 0.0 110.254 171.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -101.03 -53.66 2.99 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 125.418 2.532 . . . . 0.0 107.648 -172.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -85.17 81.36 8.87 Favored 'General case' 0 C--N 1.314 -0.935 0 O-C-N 120.699 -1.251 . . . . 0.0 109.117 173.271 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.748 ' HA ' HG22 ' A' ' 38' ' ' THR . 3.4 t -54.28 -13.81 0.99 Allowed 'General case' 0 C--O 1.255 1.36 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -171.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -49.49 -35.77 20.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.358 172.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.872 HG23 ' CE1' ' A' ' 25' ' ' PHE . 3.1 t -85.86 -27.66 24.92 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 118.83 -0.605 . . . . 0.0 112.434 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 95.9 m -70.21 -35.74 74.11 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 173.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.668 ' CZ ' ' HE1' ' A' ' 19' ' ' MET . 0.7 OUTLIER -50.24 -31.99 15.46 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.625 170.082 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.554 ' CE2' ' HB2' ' A' ' 25' ' ' PHE . 16.5 t-105 -75.61 -28.07 58.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.187 0.994 . . . . 0.0 110.613 -171.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HE2' ' CA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -81.5 12.48 3.7 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.2 27.11 4.84 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 122.412 1.101 . . . . 0.0 109.807 169.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 29.6 t80 -156.76 13.22 0.27 Allowed 'General case' 0 C--O 1.248 0.997 0 CA-C-O 121.872 0.844 . . . . 0.0 112.835 -173.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.48 -149.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.245 0.837 0 O-C-N 120.304 -1.497 . . . . 0.0 109.717 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.27 2.181 0 CA-C-O 121.998 0.904 . . . . 0.0 111.032 -173.694 . . . . . . . . 0 0 . 1 stop_ save_